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

C74H69Cl3FN27O4 — CID 158680984

IUPAC5-(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
SMILESC.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.[2H]CF
InChIInChI=1S/2C24H20ClN9O.C17H11ClN6O2.C7H11N3.CH3F.CH4/c2*1-13-16(2-3-21(26)30-13)11-29-24(35)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)23-31-33-34-32-23;18-12-6-11-3-9(4-13-7-10(17(25)26)1-2-19-13)5-14(15(11)20-8-12)16-21-23-24-22-16;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,35)(H,31,32,33,34);1-3,5-8H,4H2,(H,25,26)(H,21,22,23,24);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4/i;;;;1D;
InChIKeyIFCVMFUBMAYHEG-YGJXFZMTSA-N
MW1526.91 g/mol
LogP10.94
Rot. Bonds17

About 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

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 (PubChem CID 158680984) has the molecular formula C74H69Cl3FN27O4 and a molecular weight of 1526.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID158680984
Molecular FormulaC74H69Cl3FN27O4
Molecular Weight1526.91 g/mol
Exact Mass1524.51
IUPAC Name5-(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
SMILESC.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.[2H]CF
InChIInChI=1S/2C24H20ClN9O.C17H11ClN6O2.C7H11N3.CH3F.CH4/c2*1-13-16(2-3-21(26)30-13)11-29-24(35)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)23-31-33-34-32-23;18-12-6-11-3-9(4-13-7-10(17(25)26)1-2-19-13)5-14(15(11)20-8-12)16-21-23-24-22-16;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,35)(H,31,32,33,34);1-3,5-8H,4H2,(H,25,26)(H,21,22,23,24);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4/i;;;;1D;
InChIKeyIFCVMFUBMAYHEG-YGJXFZMTSA-N
XLogP10.94
TPSA478.97 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001526.91
LogP ≤ 510.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 158735559
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-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;methane
CID 159685404
6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;N-[[1-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 161230526
2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]pyridine-4-carboxamide;deuterio(fluoro)methane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 161684150
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-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;2-amino-5-methylbenzoic acid;methyl 6-methylquinoline-8-carboxylate
CID 157072364
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 157090696
(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 157143690
bis(N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(7-chloro-3-oxoisoquinolin-2-yl)methyl]pyridine-4-carboxamide);(3-chloro-6-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;2-[(7-chloro-3-oxoisoquinolin-2-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 157156393
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.[2H]CF.
What is the InChIKey of 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?
The InChIKey is IFCVMFUBMAYHEG-YGJXFZMTSA-N. The full InChI is InChI=1S/2C24H20ClN9O.C17H11ClN6O2.C7H11N3.CH3F.CH4/c2*1-13-16(2-3-21(26)30-13)11-29-24(35)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)23-31-33-34-32-23;18-12-6-11-3-9(4-13-7-10(17(25)26)1-2-19-13)5-14(15(11)20-8-12)16-21-23-24-22-16;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,35)(H,31,32,33,34);1-3,5-8H,4H2,(H,25,26)(H,21,22,23,24);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4/i;;;;1D;.
What are the key properties of 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?
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 has a molecular weight of 1526.91 g/mol, XLogP of 10.94, 17 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158680984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).