4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

C21H24FN3O2 — CID 109086427

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H24FN3O2/c1-2-17-8-5-6-12-25(17)21(27)15-10-11-23-19(13-15)20(26)24-14-16-7-3-4-9-18(16)22/h3-4,7,9-11,13,17H,2,5-6,8,12,14H2,1H3,(H,24,26)
InChIKeyQMFMDCWTFWWMKU-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.56
Rot. Bonds5

About 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109086427) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109086427
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H24FN3O2/c1-2-17-8-5-6-12-25(17)21(27)15-10-11-23-19(13-15)20(26)24-14-16-7-3-4-9-18(16)22/h3-4,7,9-11,13,17H,2,5-6,8,12,14H2,1H3,(H,24,26)
InChIKeyQMFMDCWTFWWMKU-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
4-N-cyclopentyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109080710
N-(2,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090195
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
6-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109098541
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 109148363
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109086427) is 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is CCC1CCCCN1C(=O)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is QMFMDCWTFWWMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-2-17-8-5-6-12-25(17)21(27)15-10-11-23-19(13-15)20(26)24-14-16-7-3-4-9-18(16)22/h3-4,7,9-11,13,17H,2,5-6,8,12,14H2,1H3,(H,24,26).
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109086427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).