5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide

C17H12N4O2 — CID 138494572

IUPAC5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(O)c1
InChIInChI=1S/C17H12N4O2/c18-7-10-1-3-13-12(5-10)2-4-14(13)21-17(23)16-15(22)6-11(8-19)9-20-16/h1,3,5-6,9,14,22H,2,4H2,(H,21,23)/t14-/m1/s1
InChIKeyZIZPOPRFSQLTPP-CQSZACIVSA-N
MW304.31 g/mol
LogP1.95
Rot. Bonds2

About 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide

5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 138494572) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID138494572
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(O)c1
InChIInChI=1S/C17H12N4O2/c18-7-10-1-3-13-12(5-10)2-4-14(13)21-17(23)16-15(22)6-11(8-19)9-20-16/h1,3,5-6,9,14,22H,2,4H2,(H,21,23)/t14-/m1/s1
InChIKeyZIZPOPRFSQLTPP-CQSZACIVSA-N
XLogP1.95
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
CID 138494580
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
CID 138494566
N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
CID 155074800
2-amino-5-[[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 91221609
6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686575
4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(3-isocyanophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686204
4-[[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
CID 91384129
4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(5-propan-2-ylfuran-3-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686969
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile
CID 79742118
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95321706
4-N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[[2-(trifluoromethyl)-1-benzofuran-6-yl]methyl]pyrimidine-4,6-dicarboxamide
CID 58686279

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide (CID 138494572) is 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide is N#Cc1cnc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(O)c1.
What is the InChIKey of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is ZIZPOPRFSQLTPP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-7-10-1-3-13-12(5-10)2-4-14(13)21-17(23)16-15(22)6-11(8-19)9-20-16/h1,3,5-6,9,14,22H,2,4H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 138494572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).