N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide

C18H20N4O4 — CID 51815485

IUPACN-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H20N4O4/c1-12(23)9-20-17(25)18(26)22-15-7-3-2-6-14(15)16(24)21-11-13-5-4-8-19-10-13/h2-8,10,12,23H,9,11H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t12-/m0/s1
InChIKeyAPZVUZBCYWASAN-LBPRGKRZSA-N
MW356.38 g/mol
LogP0.45
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide

N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide (PubChem CID 51815485) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
PubChem CID51815485
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H20N4O4/c1-12(23)9-20-17(25)18(26)22-15-7-3-2-6-14(15)16(24)21-11-13-5-4-8-19-10-13/h2-8,10,12,23H,9,11H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t12-/m0/s1
InChIKeyAPZVUZBCYWASAN-LBPRGKRZSA-N
XLogP0.45
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide 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

N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 17200377
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
2-[(4-methylphenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100639374
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide (CID 51815485) is N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide is C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide?
The InChIKey is APZVUZBCYWASAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(23)9-20-17(25)18(26)22-15-7-3-2-6-14(15)16(24)21-11-13-5-4-8-19-10-13/h2-8,10,12,23H,9,11H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide?
N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide has a molecular weight of 356.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 51815485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).