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

C75H79Cl3N16O4 — CID 159739166

IUPAC5-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
SMILESCC(=O)Cc1ccc(C#N)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1
InChIInChI=1S/C23H25ClN4O2.C23H23ClN4O.C14H18ClN3.C9H8N2O.C6H5N3/c1-23(2,3)21-13-18(28(27-21)17-6-4-5-16(24)12-17)8-9-19(29)11-15-7-10-20(22(25)30)26-14-15;1-23(2,3)22-13-20(28(27-22)19-6-4-5-17(24)12-19)9-10-21(29)11-16-7-8-18(14-25)26-15-16;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h4-7,10,12-14H,8-9,11H2,1-3H3,(H2,25,30);4-8,12-13,15H,9-11H2,1-3H3;4-8H,9,16H2,1-3H3;2-3,6H,4H2,1H3;1-2,4H,8H2
InChIKeyNCFLJXODBMIHCX-UHFFFAOYSA-N
MW1374.92 g/mol
LogP13.80
Rot. Bonds17

About 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

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 (PubChem CID 159739166) has the molecular formula C75H79Cl3N16O4 and a molecular weight of 1374.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159739166
Molecular FormulaC75H79Cl3N16O4
Molecular Weight1374.92 g/mol
Exact Mass1372.55
IUPAC Name5-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
SMILESCC(=O)Cc1ccc(C#N)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1
InChIInChI=1S/C23H25ClN4O2.C23H23ClN4O.C14H18ClN3.C9H8N2O.C6H5N3/c1-23(2,3)21-13-18(28(27-21)17-6-4-5-16(24)12-17)8-9-19(29)11-15-7-10-20(22(25)30)26-14-15;1-23(2,3)22-13-20(28(27-22)19-6-4-5-17(24)12-19)9-10-21(29)11-16-7-8-18(14-25)26-15-16;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h4-7,10,12-14H,8-9,11H2,1-3H3,(H2,25,30);4-8,12-13,15H,9-11H2,1-3H3;4-8H,9,16H2,1-3H3;2-3,6H,4H2,1H3;1-2,4H,8H2
InChIKeyNCFLJXODBMIHCX-UHFFFAOYSA-N
XLogP13.80
TPSA322.73 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.92
LogP ≤ 513.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
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;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
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
3-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide;formaldehyde;4-methyl-3-(4-methylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide;3-(4-methylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 172982008
N-(3-chloro-4-methylphenyl)-1-[4-[5-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497567
N-(3-chlorophenyl)-1-[4-[5-[(3-chlorophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Cc1ccc(C#N)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C#N)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.N#Cc1ccc(N)cn1.
What is the InChIKey of 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?
The InChIKey is NCFLJXODBMIHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C23H23ClN4O.C14H18ClN3.C9H8N2O.C6H5N3/c1-23(2,3)21-13-18(28(27-21)17-6-4-5-16(24)12-17)8-9-19(29)11-15-7-10-20(22(25)30)26-14-15;1-23(2,3)22-13-20(28(27-22)19-6-4-5-17(24)12-19)9-10-21(29)11-16-7-8-18(14-25)26-15-16;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-7(12)4-8-2-3-9(5-10)11-6-8;7-3-6-2-1-5(8)4-9-6/h4-7,10,12-14H,8-9,11H2,1-3H3,(H2,25,30);4-8,12-13,15H,9-11H2,1-3H3;4-8H,9,16H2,1-3H3;2-3,6H,4H2,1H3;1-2,4H,8H2.
What are the key properties of 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?
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 has a molecular weight of 1374.92 g/mol, XLogP of 13.80, 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;[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 is sourced from PubChem (CID 159739166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).