N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid

C46H46Cl2N10O3 — CID 157381599

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyBKYHBONJOBUIOF-UHFFFAOYSA-N
MW857.85 g/mol
LogP8.58
Rot. Bonds9

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 157381599) has the molecular formula C46H46Cl2N10O3 and a molecular weight of 857.85 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
PubChem CID157381599
Molecular FormulaC46H46Cl2N10O3
Molecular Weight857.85 g/mol
Exact Mass856.31
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyBKYHBONJOBUIOF-UHFFFAOYSA-N
XLogP8.58
TPSA227.60 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.85
LogP ≤ 58.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid 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

US10023557, Example 222
CID 124182922
US10023557, Example 221
CID 124183146
US10023557, Example 93
CID 118665155
US10023557, Example 94
CID 118665190
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 24
CID 118665371
US10308637, Example 209
CID 124181955
US10023557, Example 223
CID 124182300
US10023557, Example 224
CID 124182897
US10023557, Example 316
CID 124183126
US10023557, Example 219
CID 126501514

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid (CID 157381599) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is BKYHBONJOBUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 857.85 g/mol, XLogP of 8.58, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157381599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).