6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide

C16H17FN2O — CID 115496693

IUPAC6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O/c1-10(2)12-7-4-6-11(3)15(12)19-16(20)13-8-5-9-14(17)18-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKPTRALRMYATNOL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.90
Rot. Bonds3

About 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide

6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 115496693) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID115496693
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O/c1-10(2)12-7-4-6-11(3)15(12)19-16(20)13-8-5-9-14(17)18-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKPTRALRMYATNOL-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-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

2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
2-N-(3-cyanophenyl)-6-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100701
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312897
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
6-(3-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109099715
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915398
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide (CID 115496693) is 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is KPTRALRMYATNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10(2)12-7-4-6-11(3)15(12)19-16(20)13-8-5-9-14(17)18-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide?
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115496693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).