N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide

C14H12F2N2O — CID 140591732

IUPACN-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F2N2O/c1-9(11-5-12(15)7-13(16)6-11)18-14(19)10-3-2-4-17-8-10/h2-9H,1H3,(H,18,19)
InChIKeyXBKYCWNZWCEYCP-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide

N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 140591732) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID140591732
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F2N2O/c1-9(11-5-12(15)7-13(16)6-11)18-14(19)10-3-2-4-17-8-10/h2-9H,1H3,(H,18,19)
InChIKeyXBKYCWNZWCEYCP-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
CID 140571963
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide (CID 140591732) is N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XBKYCWNZWCEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9(11-5-12(15)7-13(16)6-11)18-14(19)10-3-2-4-17-8-10/h2-9H,1H3,(H,18,19).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 140591732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).