N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide

C16H16N4O3 — CID 32688575

IUPACN-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N4O3/c1-11(21)18-9-12-4-6-13(7-5-12)15(22)19-20-16(23)14-3-2-8-17-10-14/h2-8,10H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyONFALJKZGPVBNT-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.79
Rot. Bonds4

About N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide

N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide (PubChem CID 32688575) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
PubChem CID32688575
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N4O3/c1-11(21)18-9-12-4-6-13(7-5-12)15(22)19-20-16(23)14-3-2-8-17-10-14/h2-8,10H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyONFALJKZGPVBNT-UHFFFAOYSA-N
XLogP0.79
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide 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-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
[4-(acetamidomethyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate;hydrochloride
CID 70624116
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide (CID 32688575) is N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide?
The InChIKey is ONFALJKZGPVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(21)18-9-12-4-6-13(7-5-12)15(22)19-20-16(23)14-3-2-8-17-10-14/h2-8,10H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide?
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 32688575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).