N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C15H14F2N2O — CID 174518381

IUPACN-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(F)cnc1Cc1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c1-2-18-15(20)13-8-12(17)9-19-14(13)7-10-3-5-11(16)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyFBUPFJJFNQSBSU-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.70
Rot. Bonds4

About N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 174518381) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID174518381
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(F)cnc1Cc1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c1-2-18-15(20)13-8-12(17)9-19-14(13)7-10-3-5-11(16)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyFBUPFJJFNQSBSU-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-2-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 175249083
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23114730
methyl 4-[(1S)-1-[[5-chloro-2-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]benzoate;methyl 5-chloro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxylate
CID 158254353
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridine-2-carboxamide
CID 146074902
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
2-amino-N-ethyl-5-(fluoromethyl)benzamide
CID 89164524
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 89207947
4-[(1S)-1-[[5-chloro-2-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]benzoic acid;methyl 4-[(1S)-1-[[5-chloro-2-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 161176082
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 174518381) is N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is CCNC(=O)c1cc(F)cnc1Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FBUPFJJFNQSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-2-18-15(20)13-8-12(17)9-19-14(13)7-10-3-5-11(16)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,20).
What are the key properties of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 174518381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).