2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

C26H32N6O4 — CID 46943975

IUPAC2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C26H32N6O4/c1-4-19-25(30(2)26(35)29-20-9-5-6-10-21(20)36-3)32-17-18(12-13-22(32)28-19)24(34)27-14-8-16-31-15-7-11-23(31)33/h5-6,9-10,12-13,17H,4,7-8,11,14-16H2,1-3H3,(H,27,34)(H,29,35)
InChIKeyIGIWKRKGYPVZGV-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.32
Rot. Bonds9

About 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943975) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943975
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C26H32N6O4/c1-4-19-25(30(2)26(35)29-20-9-5-6-10-21(20)36-3)32-17-18(12-13-22(32)28-19)24(34)27-14-8-16-31-15-7-11-23(31)33/h5-6,9-10,12-13,17H,4,7-8,11,14-16H2,1-3H3,(H,27,34)(H,29,35)
InChIKeyIGIWKRKGYPVZGV-UHFFFAOYSA-N
XLogP3.32
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.32
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

6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108820895
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224433
(Z)-2-cyano-3-(2-methoxyanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815330
3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 46948605
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46943975) is 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(C)C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is IGIWKRKGYPVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-4-19-25(30(2)26(35)29-20-9-5-6-10-21(20)36-3)32-17-18(12-13-22(32)28-19)24(34)27-14-8-16-31-15-7-11-23(31)33/h5-6,9-10,12-13,17H,4,7-8,11,14-16H2,1-3H3,(H,27,34)(H,29,35).
What are the key properties of 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).