2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride

C110H145Cl13FN25O9S2 — CID 158932653

IUPAC2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride
SMILESC.C.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CN)c1.CN(C)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1.CN(C)c1ccnc(CO)c1.CNC.CNC.Cc1ccnc(CN(Cc2cc(N(C)C)ccn2)Cc2cc(N(C)C)ccn2)c1.Cl.Cl.ClCc1cc(Cl)ccn1.O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccn1.O=S(Cl)Cl.O=S(Cl)Cl.OCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1.[2H]CF
InChIInChI=1S/C23H30N6.C16H15N3O2.C14H9ClN2O2.2C8H11ClN2.C8H13N3.C8H12N2O.C6H5Cl2N.2C6H6ClNO.2C2H7N.CH3F.2CH4.2Cl2OS.2ClH/c1-18-6-9-24-19(12-18)15-29(16-20-13-22(27(2)3)7-10-25-20)17-21-14-23(28(4)5)8-11-26-21;1-18(2)12-7-8-17-11(9-12)10-19-15(20)13-5-3-4-6-14(13)16(19)21;15-9-5-6-16-10(7-9)8-17-13(18)11-3-1-2-4-12(11)14(17)19;3*1-11(2)8-3-4-10-7(5-8)6-9;1-10(2)8-3-4-9-7(5-8)6-11;7-4-6-3-5(8)1-2-9-6;2*7-5-1-2-8-6(3-5)4-9;2*1-3-2;1-2;;;2*1-4(2)3;;/h6-14H,15-17H2,1-5H3;3-9H,10H2,1-2H3;1-7H,8H2;2*3-5H,6H2,1-2H3;3-5H,6,9H2,1-2H3;3-5,11H,6H2,1-2H3;1-3H,4H2;2*1-3,9H,4H2;2*3H,1-2H3;1H3;2*1H4;;;2*1H/i;;;;;;;;;;;;1D;;;;;;
InChIKeyWNSMGBQDXGKCMR-ARLWYTCNSA-N
MW2506.56 g/mol
LogP22.39
Rot. Bonds24

About 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride

2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride (PubChem CID 158932653) has the molecular formula C110H145Cl13FN25O9S2 and a molecular weight of 2506.56 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride
PubChem CID158932653
Molecular FormulaC110H145Cl13FN25O9S2
Molecular Weight2506.56 g/mol
Exact Mass2498.71
IUPAC Name2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride
SMILESC.C.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CN)c1.CN(C)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1.CN(C)c1ccnc(CO)c1.CNC.CNC.Cc1ccnc(CN(Cc2cc(N(C)C)ccn2)Cc2cc(N(C)C)ccn2)c1.Cl.Cl.ClCc1cc(Cl)ccn1.O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccn1.O=S(Cl)Cl.O=S(Cl)Cl.OCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1.[2H]CF
InChIInChI=1S/C23H30N6.C16H15N3O2.C14H9ClN2O2.2C8H11ClN2.C8H13N3.C8H12N2O.C6H5Cl2N.2C6H6ClNO.2C2H7N.CH3F.2CH4.2Cl2OS.2ClH/c1-18-6-9-24-19(12-18)15-29(16-20-13-22(27(2)3)7-10-25-20)17-21-14-23(28(4)5)8-11-26-21;1-18(2)12-7-8-17-11(9-12)10-19-15(20)13-5-3-4-6-14(13)16(19)21;15-9-5-6-16-10(7-9)8-17-13(18)11-3-1-2-4-12(11)14(17)19;3*1-11(2)8-3-4-10-7(5-8)6-9;1-10(2)8-3-4-9-7(5-8)6-11;7-4-6-3-5(8)1-2-9-6;2*7-5-1-2-8-6(3-5)4-9;2*1-3-2;1-2;;;2*1-4(2)3;;/h6-14H,15-17H2,1-5H3;3-9H,10H2,1-2H3;1-7H,8H2;2*3-5H,6H2,1-2H3;3-5H,6,9H2,1-2H3;3-5,11H,6H2,1-2H3;1-3H,4H2;2*1-3,9H,4H2;2*3H,1-2H3;1H3;2*1H4;;;2*1H/i;;;;;;;;;;;;1D;;;;;;
InChIKeyWNSMGBQDXGKCMR-ARLWYTCNSA-N
XLogP22.39
TPSA400.27 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.56
LogP ≤ 522.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-Chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione
CID 157205483
4-(4-Chlorophenyl)-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-methylpyridine-3-carboxamide;4-(4-chlorophenyl)-6-ethyl-2-methylpyridine-3-carboxamide;4-(4-chlorophenyl)-6-(hydroxymethyl)pyridine-3-carboxamide;6-ethyl-4-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;6-ethyl-4-(4-fluorophenyl)pyridine-3-carboxamide
CID 158404858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride (CID 158932653) is 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride is C.C.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CCl)c1.CN(C)c1ccnc(CN)c1.CN(C)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1.CN(C)c1ccnc(CO)c1.CNC.CNC.Cc1ccnc(CN(Cc2cc(N(C)C)ccn2)Cc2cc(N(C)C)ccn2)c1.Cl.Cl.ClCc1cc(Cl)ccn1.O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccn1.O=S(Cl)Cl.O=S(Cl)Cl.OCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1.[2H]CF.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride?
The InChIKey is WNSMGBQDXGKCMR-ARLWYTCNSA-N. The full InChI is InChI=1S/C23H30N6.C16H15N3O2.C14H9ClN2O2.2C8H11ClN2.C8H13N3.C8H12N2O.C6H5Cl2N.2C6H6ClNO.2C2H7N.CH3F.2CH4.2Cl2OS.2ClH/c1-18-6-9-24-19(12-18)15-29(16-20-13-22(27(2)3)7-10-25-20)17-21-14-23(28(4)5)8-11-26-21;1-18(2)12-7-8-17-11(9-12)10-19-15(20)13-5-3-4-6-14(13)16(19)21;15-9-5-6-16-10(7-9)8-17-13(18)11-3-1-2-4-12(11)14(17)19;3*1-11(2)8-3-4-10-7(5-8)6-9;1-10(2)8-3-4-9-7(5-8)6-11;7-4-6-3-5(8)1-2-9-6;2*7-5-1-2-8-6(3-5)4-9;2*1-3-2;1-2;;;2*1-4(2)3;;/h6-14H,15-17H2,1-5H3;3-9H,10H2,1-2H3;1-7H,8H2;2*3-5H,6H2,1-2H3;3-5H,6,9H2,1-2H3;3-5,11H,6H2,1-2H3;1-3H,4H2;2*1-3,9H,4H2;2*3H,1-2H3;1H3;2*1H4;;;2*1H/i;;;;;;;;;;;;1D;;;;;;.
What are the key properties of 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride?
2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride has a molecular weight of 2506.56 g/mol, XLogP of 22.39, 24 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethylpyridin-4-amine;4-chloro-2-(chloromethyl)pyridine;bis(2-(chloromethyl)-N,N-dimethylpyridin-4-amine);bis((4-chloro-2-pyridinyl)methanol);2-[(4-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;deuterio(fluoro)methane;[4-(dimethylamino)-2-pyridinyl]methanol;2-[[4-(dimethylamino)-2-pyridinyl]methyl]isoindole-1,3-dione;2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[(4-methyl-2-pyridinyl)methyl]amino]methyl]-N,N-dimethylpyridin-4-amine;methane;bis(N-methylmethanamine);bis(thionyl dichloride);dihydrochloride is sourced from PubChem (CID 158932653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).