N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H17ClN4O3 — CID 4782515

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O3/c1-22(18(25)14-10-23-8-4-3-5-16(23)20-14)11-17(24)21-13-9-12(19)6-7-15(13)26-2/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyKSEKZEUEZMRTCH-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 4782515) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID4782515
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O3/c1-22(18(25)14-10-23-8-4-3-5-16(23)20-14)11-17(24)21-13-9-12(19)6-7-15(13)26-2/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyKSEKZEUEZMRTCH-UHFFFAOYSA-N
XLogP2.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 4782515) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KSEKZEUEZMRTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-22(18(25)14-10-23-8-4-3-5-16(23)20-14)11-17(24)21-13-9-12(19)6-7-15(13)26-2/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 4782515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).