N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide

C14H13FN2O — CID 18148195

IUPACN-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13FN2O/c1-10-2-5-12(9-16-10)14(18)17-8-11-3-6-13(15)7-4-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyGSLGSFFSLGSIOW-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.46
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 18148195) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID18148195
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13FN2O/c1-10-2-5-12(9-16-10)14(18)17-8-11-3-6-13(15)7-4-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyGSLGSFFSLGSIOW-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.46
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]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide (CID 18148195) is N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is GSLGSFFSLGSIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10-2-5-12(9-16-10)14(18)17-8-11-3-6-13(15)7-4-11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 2.46, 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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).