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

C18H14N4O2 — CID 138494566

IUPAC5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(C#N)cnc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21
InChIInChI=1S/C18H14N4O2/c1-24-16-7-12(9-20)10-21-17(16)18(23)22-15-5-3-13-6-11(8-19)2-4-14(13)15/h2,4,6-7,10,15H,3,5H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyBUSVDGALLGFQJH-OAHLLOKOSA-N
MW318.34 g/mol
LogP2.25
Rot. Bonds3

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

5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide (PubChem CID 138494566) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
PubChem CID138494566
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(C#N)cnc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21
InChIInChI=1S/C18H14N4O2/c1-24-16-7-12(9-20)10-21-17(16)18(23)22-15-5-3-13-6-11(8-19)2-4-14(13)15/h2,4,6-7,10,15H,3,5H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyBUSVDGALLGFQJH-OAHLLOKOSA-N
XLogP2.25
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
CID 155074800
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
CID 138494572
5-chloro-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
CID 138494580
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-[(5-propan-2-ylfuran-3-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686969
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
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95321706
2-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide (CID 138494566) is 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide is COc1cc(C#N)cnc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21.
What is the InChIKey of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide?
The InChIKey is BUSVDGALLGFQJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-16-7-12(9-20)10-21-17(16)18(23)22-15-5-3-13-6-11(8-19)2-4-14(13)15/h2,4,6-7,10,15H,3,5H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide?
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 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-methoxypyridine-2-carboxamide is sourced from PubChem (CID 138494566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).