5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide

C14H14FN3O — CID 53323865

IUPAC5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(N)=O)cc(-c2ccccc2F)c1CN
InChIInChI=1S/C14H14FN3O/c1-8-11(7-16)10(6-13(18-8)14(17)19)9-4-2-3-5-12(9)15/h2-6H,7,16H2,1H3,(H2,17,19)
InChIKeyCDARHJJWAGOSCY-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.75
Rot. Bonds3

About 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide

5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 53323865) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
PubChem CID53323865
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(N)=O)cc(-c2ccccc2F)c1CN
InChIInChI=1S/C14H14FN3O/c1-8-11(7-16)10(6-13(18-8)14(17)19)9-4-2-3-5-12(9)15/h2-6H,7,16H2,1H3,(H2,17,19)
InChIKeyCDARHJJWAGOSCY-UHFFFAOYSA-N
XLogP1.75
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide (CID 53323865) is 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide is Cc1nc(C(N)=O)cc(-c2ccccc2F)c1CN.
What is the InChIKey of 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is CDARHJJWAGOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-11(7-16)10(6-13(18-8)14(17)19)9-4-2-3-5-12(9)15/h2-6H,7,16H2,1H3,(H2,17,19).
What are the key properties of 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 53323865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).