N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H23ClN4O2 — CID 110625372

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)c2ccccn12
InChIInChI=1S/C21H23ClN4O2/c1-14(2)11-18-25-20(17-5-3-4-10-26(17)18)21(28)24-13-19(27)23-12-15-6-8-16(22)9-7-15/h3-10,14H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBHCSDWKOOQJZFQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.23
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110625372) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110625372
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)c2ccccn12
InChIInChI=1S/C21H23ClN4O2/c1-14(2)11-18-25-20(17-5-3-4-10-26(17)18)21(28)24-13-19(27)23-12-15-6-8-16(22)9-7-15/h3-10,14H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBHCSDWKOOQJZFQ-UHFFFAOYSA-N
XLogP3.23
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067536
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
N-[2-(benzylamino)-2-oxoethyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47783322
N-(4-methoxybutyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110610181
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281
N-[4-(cyclopropanecarbonyl)phenyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110425878
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110621614
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110426409
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070531

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110625372) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is CC(C)Cc1nc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)c2ccccn12.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BHCSDWKOOQJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14(2)11-18-25-20(17-5-3-4-10-26(17)18)21(28)24-13-19(27)23-12-15-6-8-16(22)9-7-15/h3-10,14H,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110625372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).