2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde

C15H16FN3O2 — CID 158871409

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
SMILESC=O.Cc1ccc(C(=O)NCc2ccccc2F)c(N)n1
InChIInChI=1S/C14H14FN3O.CH2O/c1-9-6-7-11(13(16)18-9)14(19)17-8-10-4-2-3-5-12(10)15;1-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);1H2
InChIKeyJBWVHZHQAOCEKB-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde

2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde (PubChem CID 158871409) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
PubChem CID158871409
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
SMILESC=O.Cc1ccc(C(=O)NCc2ccccc2F)c(N)n1
InChIInChI=1S/C14H14FN3O.CH2O/c1-9-6-7-11(13(16)18-9)14(19)17-8-10-4-2-3-5-12(10)15;1-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);1H2
InChIKeyJBWVHZHQAOCEKB-UHFFFAOYSA-N
XLogP1.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde (CID 158871409) is 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde is C=O.Cc1ccc(C(=O)NCc2ccccc2F)c(N)n1.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde?
The InChIKey is JBWVHZHQAOCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O.CH2O/c1-9-6-7-11(13(16)18-9)14(19)17-8-10-4-2-3-5-12(10)15;1-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);1H2.
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde?
2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde has a molecular weight of 289.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde is sourced from PubChem (CID 158871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).