N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C13H18N4O3S — CID 119995798

IUPACN-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(CN)CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C13H18N4O3S/c1-9(7-14)8-15-12(18)11-10-5-3-4-6-17(10)13(16-11)21(2,19)20/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyKBNVZEHJENPZRZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.06
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 119995798) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID119995798
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(CN)CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C13H18N4O3S/c1-9(7-14)8-15-12(18)11-10-5-3-4-6-17(10)13(16-11)21(2,19)20/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyKBNVZEHJENPZRZ-UHFFFAOYSA-N
XLogP0.06
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
N-(1-aminohexan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119667168
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47783322
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 51094701
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119477193

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 119995798) is N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CC(CN)CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KBNVZEHJENPZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(7-14)8-15-12(18)11-10-5-3-4-6-17(10)13(16-11)21(2,19)20/h3-6,9H,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 119995798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).