2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

C20H14N3O4- — CID 6980203

IUPAC2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESO=C(Nc1ccccn1)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C20H15N3O4/c24-18(23-17-7-3-4-12-21-17)13-8-10-14(11-9-13)22-19(25)15-5-1-2-6-16(15)20(26)27/h1-12H,(H,22,25)(H,26,27)(H,21,23,24)/p-1
InChIKeyZFZAWDNBOSWFQF-UHFFFAOYSA-M
MW360.35 g/mol
LogP1.95
Rot. Bonds5

About 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 6980203) has the molecular formula C20H14N3O4- and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID6980203
Molecular FormulaC20H14N3O4-
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESO=C(Nc1ccccn1)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C20H15N3O4/c24-18(23-17-7-3-4-12-21-17)13-8-10-14(11-9-13)22-19(25)15-5-1-2-6-16(15)20(26)27/h1-12H,(H,22,25)(H,26,27)(H,21,23,24)/p-1
InChIKeyZFZAWDNBOSWFQF-UHFFFAOYSA-M
XLogP1.95
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate 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

2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-arsoroso-N-pyridin-2-ylbenzamide
CID 3027019
4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
trisodium;2-[[4-(phosphonatomethyl)phenyl]carbamoyl]benzoate
CID 59817031
4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
CID 145039707

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (CID 6980203) is 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is ZFZAWDNBOSWFQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15N3O4/c24-18(23-17-7-3-4-12-21-17)13-8-10-14(11-9-13)22-19(25)15-5-1-2-6-16(15)20(26)27/h1-12H,(H,22,25)(H,26,27)(H,21,23,24)/p-1.
What are the key properties of 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 360.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 6980203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).