N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide

C14H12F2N2O — CID 110788258

IUPACN-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O/c15-12-4-3-10(8-13(12)16)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19)
InChIKeyZZSWCCGPXJCPHR-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide

N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 110788258) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID110788258
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O/c15-12-4-3-10(8-13(12)16)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19)
InChIKeyZZSWCCGPXJCPHR-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide (CID 110788258) is N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(F)c(F)c1)c1cccnc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZZSWCCGPXJCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-12-4-3-10(8-13(12)16)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).