N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride

C13H19ClN4O3S — CID 119432312

IUPACN-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.Cl
InChIInChI=1S/C13H18N4O3S.ClH/c1-14-7-5-8-15-12(18)11-10-6-3-4-9-17(10)13(16-11)21(2,19)20;/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,15,18);1H
InChIKeyBWBXFULJNOHFFA-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.50
Rot. Bonds6

About N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride (PubChem CID 119432312) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
PubChem CID119432312
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC NameN-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.Cl
InChIInChI=1S/C13H18N4O3S.ClH/c1-14-7-5-8-15-12(18)11-10-6-3-4-9-17(10)13(16-11)21(2,19)20;/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,15,18);1H
InChIKeyBWBXFULJNOHFFA-UHFFFAOYSA-N
XLogP0.50
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798
N-(1-aminohexan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119667168
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
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427
N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119477193
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride (CID 119432312) is N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride is CNCCCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
The InChIKey is BWBXFULJNOHFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S.ClH/c1-14-7-5-8-15-12(18)11-10-6-3-4-9-17(10)13(16-11)21(2,19)20;/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,15,18);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride has a molecular weight of 346.84 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119432312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).