N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H26N4O2 — CID 90090369

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(C)nc12
InChIInChI=1S/C22H26N4O2/c1-3-28-19-10-7-12-26-20(16(2)23-21(19)26)22(27)24-18-11-13-25(15-18)14-17-8-5-4-6-9-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyPIRHJMOQVYKKFR-SFHVURJKSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds6

About N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090369) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090369
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(C)nc12
InChIInChI=1S/C22H26N4O2/c1-3-28-19-10-7-12-26-20(16(2)23-21(19)26)22(27)24-18-11-13-25(15-18)14-17-8-5-4-6-9-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyPIRHJMOQVYKKFR-SFHVURJKSA-N
XLogP3.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate
CID 90090296
8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090244
8-ethoxy-2-methyl-N-[(3R)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162316268
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 154474868
8-ethoxy-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090260
tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 90090034
8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090277
1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 90090192
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713514
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90090369) is N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCOc1cccn2c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(C)nc12.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PIRHJMOQVYKKFR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-28-19-10-7-12-26-20(16(2)23-21(19)26)22(27)24-18-11-13-25(15-18)14-17-8-5-4-6-9-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).