N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C18H18N4O4S — CID 47783322

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)NCC(=O)NCc2ccccc2)c2ccccn12
InChIInChI=1S/C18H18N4O4S/c1-27(25,26)18-21-16(14-9-5-6-10-22(14)18)17(24)20-12-15(23)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyHADUBECWSLZSOU-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.78
Rot. Bonds6

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

N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 47783322) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID47783322
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)NCC(=O)NCc2ccccc2)c2ccccn12
InChIInChI=1S/C18H18N4O4S/c1-27(25,26)18-21-16(14-9-5-6-10-22(14)18)17(24)20-12-15(23)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyHADUBECWSLZSOU-UHFFFAOYSA-N
XLogP0.78
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-(3-aminopropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119407322
N-[2-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 120832749
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 51094608
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 51094701
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110625372
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
N-(3-aminopropyl)-N-benzyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 120649325
N-(1-amino-4-methylpentan-2-yl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119587427

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 47783322) is N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CS(=O)(=O)c1nc(C(=O)NCC(=O)NCc2ccccc2)c2ccccn12.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is HADUBECWSLZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-27(25,26)18-21-16(14-9-5-6-10-22(14)18)17(24)20-12-15(23)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 47783322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).