N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide

C24H30ClN3O4 — CID 42192337

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H30ClN3O4/c1-17-7-10-28(11-8-17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-9-6-18-4-3-5-19(25)14-18/h3-5,14-17H,6-13H2,1-2H3,(H,26,30)
InChIKeyPTLZKTDLPSKIFI-UHFFFAOYSA-N
MW459.97 g/mol
LogP2.99
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide (PubChem CID 42192337) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
PubChem CID42192337
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H30ClN3O4/c1-17-7-10-28(11-8-17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-9-6-18-4-3-5-19(25)14-18/h3-5,14-17H,6-13H2,1-2H3,(H,26,30)
InChIKeyPTLZKTDLPSKIFI-UHFFFAOYSA-N
XLogP2.99
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26322764
N-(2-methoxyethyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095409
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
CID 166321620
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide (CID 42192337) is N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide is COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The InChIKey is PTLZKTDLPSKIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c1-17-7-10-28(11-8-17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-9-6-18-4-3-5-19(25)14-18/h3-5,14-17H,6-13H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide has a molecular weight of 459.97 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42192337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).