3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

C19H21N3O4 — CID 126648395

IUPAC3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CC2CO)c[nH]c1=O
InChIInChI=1S/C19H21N3O4/c1-22(10-12-5-3-2-4-6-12)19(26)15-7-13(9-20-18(15)25)17(24)21-16-8-14(16)11-23/h2-7,9,14,16,23H,8,10-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyPUHKIORSGUOGKI-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.76
Rot. Bonds6

About 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide (PubChem CID 126648395) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
PubChem CID126648395
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CC2CO)c[nH]c1=O
InChIInChI=1S/C19H21N3O4/c1-22(10-12-5-3-2-4-6-12)19(26)15-7-13(9-20-18(15)25)17(24)21-16-8-14(16)11-23/h2-7,9,14,16,23H,8,10-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyPUHKIORSGUOGKI-UHFFFAOYSA-N
XLogP0.76
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-cyclopropyl-3-N-methyl-3-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648564
3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide
CID 126749840
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
5-N-ethyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749858
5-N-ethyl-3-N-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749880
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
N-(2-ethylcyclopropyl)benzamide
CID 103669419
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 154783171

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide (CID 126648395) is 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CC2CO)c[nH]c1=O.
What is the InChIKey of 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The InChIKey is PUHKIORSGUOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-22(10-12-5-3-2-4-6-12)19(26)15-7-13(9-20-18(15)25)17(24)21-16-8-14(16)11-23/h2-7,9,14,16,23H,8,10-11H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide has a molecular weight of 355.39 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).