N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide

C13H9F3N2O — CID 140591693

IUPACN-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cncc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-10-4-9(6-17-7-10)13(19)18-5-8-1-2-11(15)12(16)3-8/h1-4,6-7H,5H2,(H,18,19)
InChIKeyCLSUVFGPBLAHIH-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 140591693) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
PubChem CID140591693
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cncc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-10-4-9(6-17-7-10)13(19)18-5-8-1-2-11(15)12(16)3-8/h1-4,6-7H,5H2,(H,18,19)
InChIKeyCLSUVFGPBLAHIH-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
N-[(3-carbamothioylphenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 104785875
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 86669516
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide (CID 140591693) is N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cncc(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is CLSUVFGPBLAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-10-4-9(6-17-7-10)13(19)18-5-8-1-2-11(15)12(16)3-8/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 140591693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).