N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

C25H28N2O3 — CID 172662960

IUPACN-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N(CCCO)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-19-14-16-27(20(2)22-12-7-4-8-13-22)25(30)23(19)24(29)26(15-9-17-28)18-21-10-5-3-6-11-21/h3-8,10-14,16,20,28H,9,15,17-18H2,1-2H3
InChIKeyACJUTHWKFHDEPN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.79
Rot. Bonds8

About N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 172662960) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID172662960
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N(CCCO)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-19-14-16-27(20(2)22-12-7-4-8-13-22)25(30)23(19)24(29)26(15-9-17-28)18-21-10-5-3-6-11-21/h3-8,10-14,16,20,28H,9,15,17-18H2,1-2H3
InChIKeyACJUTHWKFHDEPN-UHFFFAOYSA-N
XLogP3.79
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172910120
4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
CID 172668586
N-[3-(2-hydroxyethoxy)phenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172664088
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665102
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172659116
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217
1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665801
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
(2R)-N,N-dibenzyl-5-hydroxy-2-methylpentanamide
CID 155444836
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
CID 172905946

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (CID 172662960) is N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N(CCCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ACJUTHWKFHDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19-14-16-27(20(2)22-12-7-4-8-13-22)25(30)23(19)24(29)26(15-9-17-28)18-21-10-5-3-6-11-21/h3-8,10-14,16,20,28H,9,15,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172662960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).