N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide

C20H26N2O2 — CID 23588020

IUPACN-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)ccc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H26N2O2/c1-3-5-14-22-17(9-4-2)12-13-18(20(22)24)19(23)21-15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,21,23)
InChIKeyFOOKKTPJBWCOKB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.53
Rot. Bonds8

About N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide

N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide (PubChem CID 23588020) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide
PubChem CID23588020
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)ccc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H26N2O2/c1-3-5-14-22-17(9-4-2)12-13-18(20(22)24)19(23)21-15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,21,23)
InChIKeyFOOKKTPJBWCOKB-UHFFFAOYSA-N
XLogP3.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
butyl 2-(benzylcarbamoyl)benzoate
CID 2306166
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide (CID 23588020) is N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide is CCCCn1c(CCC)ccc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide?
The InChIKey is FOOKKTPJBWCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-5-14-22-17(9-4-2)12-13-18(20(22)24)19(23)21-15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide?
N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide is sourced from PubChem (CID 23588020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).