6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid

C18H18N2O3 — CID 119183961

IUPAC6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1(CNC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H18N2O3/c1-12-5-2-3-6-13(12)18(9-10-18)11-19-16(21)14-7-4-8-15(20-14)17(22)23/h2-8H,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCWXBIUFFUSRLKB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.55
Rot. Bonds5

About 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid

6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119183961) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119183961
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1(CNC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H18N2O3/c1-12-5-2-3-6-13(12)18(9-10-18)11-19-16(21)14-7-4-8-15(20-14)17(22)23/h2-8H,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCWXBIUFFUSRLKB-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-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

2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690298
4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
CID 126771991
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770249
3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
CID 139017034
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119183961) is 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid is Cc1ccccc1C1(CNC(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CWXBIUFFUSRLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-2-3-6-13(12)18(9-10-18)11-19-16(21)14-7-4-8-15(20-14)17(22)23/h2-8H,9-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid?
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119183961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).