N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

C14H11F3N2O2 — CID 171547542

IUPACN-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H11F3N2O2/c1-21-14-11(4-10(16)7-19-14)13(20)18-6-8-2-3-9(15)5-12(8)17/h2-5,7H,6H2,1H3,(H,18,20)
InChIKeyQYZOIKSMRLCXLL-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.44
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (PubChem CID 171547542) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
PubChem CID171547542
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H11F3N2O2/c1-21-14-11(4-10(16)7-19-14)13(20)18-6-8-2-3-9(15)5-12(8)17/h2-5,7H,6H2,1H3,(H,18,20)
InChIKeyQYZOIKSMRLCXLL-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547696
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 22610174
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (CID 171547542) is N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The InChIKey is QYZOIKSMRLCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-14-11(4-10(16)7-19-14)13(20)18-6-8-2-3-9(15)5-12(8)17/h2-5,7H,6H2,1H3,(H,18,20).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171547542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).