5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile

C66H61Cl3N16O4 — CID 162182265

IUPAC5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
SMILESCC(=O)Cc1ccc(C#N)nc1.Cc1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1
InChIInChI=1S/C20H19ClN4O2.C20H17ClN4O.C11H12ClN3.C9H8N2O.C6H5N3/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14;1-14-9-19(25(24-14)18-4-2-3-16(21)11-18)7-8-20(26)10-15-5-6-17(12-22)23-13-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27);2-6,9,11,13H,7-8,10H2,1H3;2-6H,7,13H2,1H3;2-3,6H,4H2,1H3;1-2,4H,8H2
InChIKeyZPENOGNXIBBNHC-UHFFFAOYSA-N
MW1248.68 g/mol
LogP10.83
Rot. Bonds17

About 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile

5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile (PubChem CID 162182265) has the molecular formula C66H61Cl3N16O4 and a molecular weight of 1248.68 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
PubChem CID162182265
Molecular FormulaC66H61Cl3N16O4
Molecular Weight1248.68 g/mol
Exact Mass1246.41
IUPAC Name5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
SMILESCC(=O)Cc1ccc(C#N)nc1.Cc1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1
InChIInChI=1S/C20H19ClN4O2.C20H17ClN4O.C11H12ClN3.C9H8N2O.C6H5N3/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14;1-14-9-19(25(24-14)18-4-2-3-16(21)11-18)7-8-20(26)10-15-5-6-17(12-22)23-13-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27);2-6,9,11,13H,7-8,10H2,1H3;2-6H,7,13H2,1H3;2-3,6H,4H2,1H3;1-2,4H,8H2
InChIKeyZPENOGNXIBBNHC-UHFFFAOYSA-N
XLogP10.83
TPSA322.73 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.68
LogP ≤ 510.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile with MolForge

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Related Compounds

N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 157986912
[2-(3-Chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]pyridine-2-carboxamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile
CID 159008588
N-[5-(6-chloro-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159021679
acetyl chloride;2-(5-amino-3-pyridinyl)-N-benzyl-5-chloropyrrolo[1,2-b]pyridazin-4-amine;1-[5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-3-pyridinyl]propan-2-one
CID 159154916
1-(3-Chloro-4-fluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;methane
CID 159179178
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[6-(2-oxopropyl)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 159610071
5-aminopyridine-2-carbonitrile;tert-butyl N-[[5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-(2-methoxyethyl)-N-[[5-(2-oxopropyl)-2-pyridinyl]methyl]carbamate;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-(dibenzylamino)pyridine-2-carbonitrile;6-[(2-methoxyethylamino)methyl]pyridin-3-amine;1-[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]propan-2-one;2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]ethanamine;5-methylpyridine-2-carbaldehyde
CID 159639029
5-Aminopyridine-2-carbonitrile;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;5-[4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
CID 159739166
2-[3-(4-amino-2,6-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-yl)phenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone
CID 160161064
5-Aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride
CID 160614623
2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 161165284

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile?
The IUPAC name of 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile (CID 162182265) is 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile is CC(=O)Cc1ccc(C#N)nc1.Cc1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile?
The InChIKey is ZPENOGNXIBBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.C20H17ClN4O.C11H12ClN3.C9H8N2O.C6H5N3/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14;1-14-9-19(25(24-14)18-4-2-3-16(21)11-18)7-8-20(26)10-15-5-6-17(12-22)23-13-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27);2-6,9,11,13H,7-8,10H2,1H3;2-6H,7,13H2,1H3;2-3,6H,4H2,1H3;1-2,4H,8H2.
What are the key properties of 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile?
5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile has a molecular weight of 1248.68 g/mol, XLogP of 10.83, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 162182265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).