N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide

C14H13FN2O2 — CID 74539910

IUPACN-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-12-3-2-8-16-13(12)14(18)17-9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBKXZVFCOQRCTQQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide (PubChem CID 74539910) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide
PubChem CID74539910
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-12-3-2-8-16-13(12)14(18)17-9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBKXZVFCOQRCTQQ-UHFFFAOYSA-N
XLogP2.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide (CID 74539910) is N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide is COc1cccnc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide?
The InChIKey is BKXZVFCOQRCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-12-3-2-8-16-13(12)14(18)17-9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 74539910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).