N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide

C15H15FN2O — CID 105066566

IUPACN-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3
InChIKeyPJKDRYQUMJBBIQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.06
Rot. Bonds3

About N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide

N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 105066566) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID105066566
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3
InChIKeyPJKDRYQUMJBBIQ-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 105066566) is N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide is CCc1ccc(N(C)C(=O)c2ccncc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is PJKDRYQUMJBBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105066566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).