6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide

C22H26FN3O2 — CID 135283535

IUPAC6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C22H26FN3O2/c1-3-4-5-10-24-21(27)15-6-9-20(25-13-15)18-11-16(12-19(23)14(18)2)22(28)26-17-7-8-17/h6,9,11-13,17H,3-5,7-8,10H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyKMSHHGSIQUSRJP-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds8

About 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide (PubChem CID 135283535) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
PubChem CID135283535
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C22H26FN3O2/c1-3-4-5-10-24-21(27)15-6-9-20(25-13-15)18-11-16(12-19(23)14(18)2)22(28)26-17-7-8-17/h6,9,11-13,17H,3-5,7-8,10H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyKMSHHGSIQUSRJP-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide 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

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[5-[[3-[4-(2,2-dimethylpropylcarbamoyl)-2-propoxyphenyl]-5-fluoro-4-methylbenzoyl]amino]-2,4-dimethylhexan-2-yl]pyridine-3-carboxamide
CID 135294113
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 174478722
N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 158612487
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 135283637
N-cyclopropyl-3-fluoro-4-methyl-5-(4-propanoyl-3H-azepin-7-yl)benzamide;hexane
CID 142273840
ethane;methyl 3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoate
CID 143691455
6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 90899545

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide (CID 135283535) is 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1.
What is the InChIKey of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide?
The InChIKey is KMSHHGSIQUSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-4-5-10-24-21(27)15-6-9-20(25-13-15)18-11-16(12-19(23)14(18)2)22(28)26-17-7-8-17/h6,9,11-13,17H,3-5,7-8,10H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide?
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 135283535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).