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

C24H30ClN3O4 — CID 26322764

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C24H30ClN3O4/c1-17-6-3-4-11-28(17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-10-9-18-7-5-8-19(25)14-18/h5,7-8,14-17H,3-4,6,9-13H2,1-2H3,(H,26,30)/t17-/m0/s1
InChIKeyQVUPCBLJEAFMHL-KRWDZBQOSA-N
MW459.97 g/mol
LogP3.14
Rot. Bonds8

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

N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide (PubChem CID 26322764) 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-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide
PubChem CID26322764
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C24H30ClN3O4/c1-17-6-3-4-11-28(17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-10-9-18-7-5-8-19(25)14-18/h5,7-8,14-17H,3-4,6,9-13H2,1-2H3,(H,26,30)/t17-/m0/s1
InChIKeyQVUPCBLJEAFMHL-KRWDZBQOSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-(4-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 42192337
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45247281
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45177319
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42378176
1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 45240202

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide (CID 26322764) is N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide is COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The InChIKey is QVUPCBLJEAFMHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c1-17-6-3-4-11-28(17)24(31)21-16-27(12-13-32-2)15-20(22(21)29)23(30)26-10-9-18-7-5-8-19(25)14-18/h5,7-8,14-17H,3-4,6,9-13H2,1-2H3,(H,26,30)/t17-/m0/s1.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide has a molecular weight of 459.97 g/mol, XLogP of 3.14, 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-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26322764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).