2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid

C16H15N3O3 — CID 166275729

IUPAC2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid
SMILESCc1c(C(=O)O)cccc1C(=O)NC1(c2ncccn2)CC1
InChIInChI=1S/C16H15N3O3/c1-10-11(4-2-5-12(10)14(21)22)13(20)19-16(6-7-16)15-17-8-3-9-18-15/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFEAYTMHCPRFULQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid

2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid (PubChem CID 166275729) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid
PubChem CID166275729
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid
SMILESCc1c(C(=O)O)cccc1C(=O)NC1(c2ncccn2)CC1
InChIInChI=1S/C16H15N3O3/c1-10-11(4-2-5-12(10)14(21)22)13(20)19-16(6-7-16)15-17-8-3-9-18-15/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFEAYTMHCPRFULQ-UHFFFAOYSA-N
XLogP1.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic 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

carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
CID 166284752
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 70811783
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193
5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
CID 138024785
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid?
The IUPAC name of 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid (CID 166275729) is 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid is Cc1c(C(=O)O)cccc1C(=O)NC1(c2ncccn2)CC1.
What is the InChIKey of 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid?
The InChIKey is FEAYTMHCPRFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-11(4-2-5-12(10)14(21)22)13(20)19-16(6-7-16)15-17-8-3-9-18-15/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid?
2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid has a molecular weight of 297.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid is sourced from PubChem (CID 166275729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).