N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C14H16N4OS — CID 95285610

IUPACN-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCC[C@H](C#N)NC(=O)c1nc(SC)n2ccccc12
InChIInChI=1S/C14H16N4OS/c1-3-6-10(9-15)16-13(19)12-11-7-4-5-8-18(11)14(17-12)20-2/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyLQJKQSMRZAXBMW-SNVBAGLBSA-N
MW288.38 g/mol
LogP2.48
Rot. Bonds5

About N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 95285610) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID95285610
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCC[C@H](C#N)NC(=O)c1nc(SC)n2ccccc12
InChIInChI=1S/C14H16N4OS/c1-3-6-10(9-15)16-13(19)12-11-7-4-5-8-18(11)14(17-12)20-2/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyLQJKQSMRZAXBMW-SNVBAGLBSA-N
XLogP2.48
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
CID 119212010
3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 96534927
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589
N-[2-(3-methylphenyl)ethyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60611521
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99627087
N-(1-cyanobutyl)-2-phenylsulfanylacetamide
CID 78917962
2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547625
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 111482418
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60560701
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60563674

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 95285610) is N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CCC[C@H](C#N)NC(=O)c1nc(SC)n2ccccc12.
What is the InChIKey of N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is LQJKQSMRZAXBMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-6-10(9-15)16-13(19)12-11-7-4-5-8-18(11)14(17-12)20-2/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 95285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).