2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid

C23H19N3O4 — CID 68968261

IUPAC2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)C3CC3C(=O)O)cc2)cc1)Nc1cccnc1
InChIInChI=1S/C23H19N3O4/c27-21(19-12-20(19)22(28)29)16-5-3-14(4-6-16)15-7-9-17(10-8-15)25-23(30)26-18-2-1-11-24-13-18/h1-11,13,19-20H,12H2,(H,28,29)(H2,25,26,30)
InChIKeyVLJLJTLIUWCHEY-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.30
Rot. Bonds6

About 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid

2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid (PubChem CID 68968261) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
PubChem CID68968261
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)C3CC3C(=O)O)cc2)cc1)Nc1cccnc1
InChIInChI=1S/C23H19N3O4/c27-21(19-12-20(19)22(28)29)16-5-3-14(4-6-16)15-7-9-17(10-8-15)25-23(30)26-18-2-1-11-24-13-18/h1-11,13,19-20H,12H2,(H,28,29)(H2,25,26,30)
InChIKeyVLJLJTLIUWCHEY-UHFFFAOYSA-N
XLogP4.30
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid 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

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68967095
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
trans-(1R,2R)-2-[4-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24866193
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68964971
trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24864912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid (CID 68968261) is 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(-c2ccc(C(=O)C3CC3C(=O)O)cc2)cc1)Nc1cccnc1.
What is the InChIKey of 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VLJLJTLIUWCHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-21(19-12-20(19)22(28)29)16-5-3-14(4-6-16)15-7-9-17(10-8-15)25-23(30)26-18-2-1-11-24-13-18/h1-11,13,19-20H,12H2,(H,28,29)(H2,25,26,30).
What are the key properties of 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid?
2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid has a molecular weight of 401.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68968261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).