2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride

C48H41Cl3N12O3 — CID 157315378

IUPAC2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCc1nc(N)c(C#N)cc1CN.Cc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.Cl.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O.C16H11ClN2O2.C8H10N4.ClH/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-5-6(3-9)2-7(4-10)8(11)12-5;/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32);1-5,7-9H,6H2,(H,20,21);2H,3,9H2,1H3,(H2,11,12);1H
InChIKeyAWZZKAMWYDTOJD-UHFFFAOYSA-N
MW940.30 g/mol
LogP8.26
Rot. Bonds9

About 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride

2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride (PubChem CID 157315378) has the molecular formula C48H41Cl3N12O3 and a molecular weight of 940.30 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
PubChem CID157315378
Molecular FormulaC48H41Cl3N12O3
Molecular Weight940.30 g/mol
Exact Mass938.25
IUPAC Name2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCc1nc(N)c(C#N)cc1CN.Cc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.Cl.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O.C16H11ClN2O2.C8H10N4.ClH/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-5-6(3-9)2-7(4-10)8(11)12-5;/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32);1-5,7-9H,6H2,(H,20,21);2H,3,9H2,1H3,(H2,11,12);1H
InChIKeyAWZZKAMWYDTOJD-UHFFFAOYSA-N
XLogP8.26
TPSA269.38 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.30
LogP ≤ 58.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride with MolForge

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Related Compounds

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CID 118665126
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CID 118665146
US10023557, Example 93
CID 118665155
US10023557, Example 95
CID 118665172
US10023557, Example 28
CID 118665175
US10023557, Example 50
CID 118665177
US10023557, Example 94
CID 118665190
US10023557, Example 92
CID 118665210
US10023557, Example 26
CID 118665238
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 84
CID 118665404

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride (CID 157315378) is 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride is Cc1nc(N)c(C#N)cc1CN.Cc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.Cl.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is AWZZKAMWYDTOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O.C16H11ClN2O2.C8H10N4.ClH/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-5-6(3-9)2-7(4-10)8(11)12-5;/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32);1-5,7-9H,6H2,(H,20,21);2H,3,9H2,1H3,(H2,11,12);1H.
What are the key properties of 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 940.30 g/mol, XLogP of 8.26, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 157315378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).