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

C16H12ClN3O2 — CID 138494580

IUPAC5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ncc(Cl)cc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-6-14(21)15(19-8-11)16(22)20-13-4-2-10-5-9(7-18)1-3-12(10)13/h1,3,5-6,8,13,21H,2,4H2,(H,20,22)/t13-/m1/s1
InChIKeyVHPIOUUGGZADKT-CYBMUJFWSA-N
MW313.74 g/mol
LogP2.73
Rot. Bonds2

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

5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 138494580) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID138494580
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
SMILESN#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ncc(Cl)cc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-6-14(21)15(19-8-11)16(22)20-13-4-2-10-5-9(7-18)1-3-12(10)13/h1,3,5-6,8,13,21H,2,4H2,(H,20,22)/t13-/m1/s1
InChIKeyVHPIOUUGGZADKT-CYBMUJFWSA-N
XLogP2.73
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
CID 138494572
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
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 175278175
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-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
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-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
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide (CID 138494580) is 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide is N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ncc(Cl)cc1O.
What is the InChIKey of 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is VHPIOUUGGZADKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-6-14(21)15(19-8-11)16(22)20-13-4-2-10-5-9(7-18)1-3-12(10)13/h1,3,5-6,8,13,21H,2,4H2,(H,20,22)/t13-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide?
5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 138494580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).