N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide

C18H17N3O3 — CID 155074800

IUPACN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC2CCc3cc(C#N)ccc32)c(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-13-8-16(24-2)17(20-10-13)18(22)21-15-6-4-12-7-11(9-19)3-5-14(12)15/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,21,22)
InChIKeyMQMDZENACYAQFV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.39
Rot. Bonds4

About N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide

N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide (PubChem CID 155074800) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
PubChem CID155074800
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC2CCc3cc(C#N)ccc32)c(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-13-8-16(24-2)17(20-10-13)18(22)21-15-6-4-12-7-11(9-19)3-5-14(12)15/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,21,22)
InChIKeyMQMDZENACYAQFV-UHFFFAOYSA-N
XLogP2.39
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
CID 138494566
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
N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide
CID 138491581
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-[[(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-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
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
3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 11315056
4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(3-isocyanophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686204

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide?
The IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide (CID 155074800) is N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide is COc1cnc(C(=O)NC2CCc3cc(C#N)ccc32)c(OC)c1.
What is the InChIKey of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide?
The InChIKey is MQMDZENACYAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-13-8-16(24-2)17(20-10-13)18(22)21-15-6-4-12-7-11(9-19)3-5-14(12)15/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,21,22).
What are the key properties of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide?
N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 155074800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).