5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride

C73H71Cl4N15O10S3 — CID 157169869

IUPAC5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cl
InChIInChI=1S/2C24H22ClN5O3S.C17H13ClN2O4S.C8H13N3.ClH/c2*1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33;1-25(23,24)15-6-10(4-12-7-13(18)9-20-16(12)15)5-14-8-11(17(21)22)2-3-19-14;1-5-3-8(10)11-6(2)7(5)4-9;/h2*3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31);2-4,6-9H,5H2,1H3,(H,21,22);3H,4,9H2,1-2H3,(H2,10,11);1H
InChIKeySRYOBZDEXRANHD-UHFFFAOYSA-N
MW1556.48 g/mol
LogP11.12
Rot. Bonds17

About 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride

5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride (PubChem CID 157169869) has the molecular formula C73H71Cl4N15O10S3 and a molecular weight of 1556.48 g/mol. Its IUPAC name is 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
PubChem CID157169869
Molecular FormulaC73H71Cl4N15O10S3
Molecular Weight1556.48 g/mol
Exact Mass1553.34
IUPAC Name5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cl
InChIInChI=1S/2C24H22ClN5O3S.C17H13ClN2O4S.C8H13N3.ClH/c2*1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33;1-25(23,24)15-6-10(4-12-7-13(18)9-20-16(12)15)5-14-8-11(17(21)22)2-3-19-14;1-5-3-8(10)11-6(2)7(5)4-9;/h2*3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31);2-4,6-9H,5H2,1H3,(H,21,22);3H,4,9H2,1-2H3,(H2,10,11);1H
InChIKeySRYOBZDEXRANHD-UHFFFAOYSA-N
XLogP11.12
TPSA418.01 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001556.48
LogP ≤ 511.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride with MolForge

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Related Compounds

US10023557, Example 67
CID 118213160
US10023557, Example 69
CID 118665120
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
CID 158440791
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-methyl-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118212524
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157058245
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[8-(azidomethyl)-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxamide;2-[[8-(azidomethyl)-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid
CID 157177187
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157225243
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157272111
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-cyanopyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]-6-cyanopyridine-4-carboxylic acid;deuterio(fluoro)methane;(2,4,6-trimethyl-3-pyridinyl)methanamine;hydrochloride
CID 157307425
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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1-oxidoquinolin-1-ium-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-1-oxidoquinolin-1-ium-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;4,6-dimethylpyridine-2,5-diamine;methane;hydrochloride
CID 157366366

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride (CID 157169869) is 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride is CS(=O)(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.Cl.
What is the InChIKey of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is SRYOBZDEXRANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN5O3S.C17H13ClN2O4S.C8H13N3.ClH/c2*1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33;1-25(23,24)15-6-10(4-12-7-13(18)9-20-16(12)15)5-14-8-11(17(21)22)2-3-19-14;1-5-3-8(10)11-6(2)7(5)4-9;/h2*3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31);2-4,6-9H,5H2,1H3,(H,21,22);3H,4,9H2,1-2H3,(H2,10,11);1H.
What are the key properties of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride?
5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 1556.48 g/mol, XLogP of 11.12, 17 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 157169869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).