N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

C13H11FN2O — CID 882119

IUPACN-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H11FN2O/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11/h1-8H,9H2,(H,16,17)
InChIKeyCEKNMTCALFEWJP-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.15
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 882119) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID882119
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC NameN-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H11FN2O/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11/h1-8H,9H2,(H,16,17)
InChIKeyCEKNMTCALFEWJP-UHFFFAOYSA-N
XLogP2.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 882119) is N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is CEKNMTCALFEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11/h1-8H,9H2,(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 882119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).