5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride

C64H67Cl4N19O4 — CID 158886608

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride
SMILESC.C.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.Cc1nc(N)ccc1CNC(=O)c1n[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1.Cl.O=C(O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1
InChIInChI=1S/C21H19ClN6O.C20H18ClN7O.C14H10ClN3O2.C7H11N3.2CH4.ClH/c1-12-14(3-5-20(23)26-12)10-25-21(29)19-9-17(27-28-19)7-13-2-4-18-15(6-13)8-16(22)11-24-18;1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16;15-10-5-9-3-8(1-2-12(9)16-7-10)4-11-6-13(14(19)20)18-17-11;1-5-6(4-8)2-3-7(9)10-5;;;/h2-6,8,11H,7,9-10H2,1H3,(H2,23,26)(H,25,29);2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28);1-3,5,7H,4,6H2,(H,19,20);2-3H,4,8H2,1H3,(H2,9,10);2*1H4;1H
InChIKeyCZKNZOPCRZLBNK-UHFFFAOYSA-N
MW1308.18 g/mol
LogP10.89
Rot. Bonds14

About 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride

5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride (PubChem CID 158886608) has the molecular formula C64H67Cl4N19O4 and a molecular weight of 1308.18 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride
PubChem CID158886608
Molecular FormulaC64H67Cl4N19O4
Molecular Weight1308.18 g/mol
Exact Mass1305.44
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride
SMILESC.C.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.Cc1nc(N)ccc1CNC(=O)c1n[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1.Cl.O=C(O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1
InChIInChI=1S/C21H19ClN6O.C20H18ClN7O.C14H10ClN3O2.C7H11N3.2CH4.ClH/c1-12-14(3-5-20(23)26-12)10-25-21(29)19-9-17(27-28-19)7-13-2-4-18-15(6-13)8-16(22)11-24-18;1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16;15-10-5-9-3-8(1-2-12(9)16-7-10)4-11-6-13(14(19)20)18-17-11;1-5-6(4-8)2-3-7(9)10-5;;;/h2-6,8,11H,7,9-10H2,1H3,(H2,23,26)(H,25,29);2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28);1-3,5,7H,4,6H2,(H,19,20);2-3H,4,8H2,1H3,(H2,9,10);2*1H4;1H
InChIKeyCZKNZOPCRZLBNK-UHFFFAOYSA-N
XLogP10.89
TPSA367.93 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.18
LogP ≤ 510.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride with MolForge

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Related Compounds

US10301284, Example 97
CID 134177935
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 157692887
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 158675955
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;2-(3-chloroquinolin-6-yl)acetic acid;2-(3-chloroquinolin-6-yl)acetonitrile
CID 157163198
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane
CID 157189587
5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;5-amino-1-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide;deuterio(fluoro)methane;(2,4,6-trimethyl-3-pyridinyl)methanamine
CID 157220009
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane
CID 158248526
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane
CID 158372102
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane
CID 158440431
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide);2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 158680984
dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate
CID 158744908
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 159230357

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride?
The IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride (CID 158886608) is 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride is C.C.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.Cc1nc(N)ccc1CNC(=O)c1n[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1.Cl.O=C(O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.
What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride?
The InChIKey is CZKNZOPCRZLBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O.C20H18ClN7O.C14H10ClN3O2.C7H11N3.2CH4.ClH/c1-12-14(3-5-20(23)26-12)10-25-21(29)19-9-17(27-28-19)7-13-2-4-18-15(6-13)8-16(22)11-24-18;1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16;15-10-5-9-3-8(1-2-12(9)16-7-10)4-11-6-13(14(19)20)18-17-11;1-5-6(4-8)2-3-7(9)10-5;;;/h2-6,8,11H,7,9-10H2,1H3,(H2,23,26)(H,25,29);2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28);1-3,5,7H,4,6H2,(H,19,20);2-3H,4,8H2,1H3,(H2,9,10);2*1H4;1H.
What are the key properties of 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride?
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride has a molecular weight of 1308.18 g/mol, XLogP of 10.89, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride is sourced from PubChem (CID 158886608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).