N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide

C13H12FN3O2 — CID 64949663

IUPACN-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2F)c(N)c1
InChIInChI=1S/C13H12FN3O2/c1-19-8-2-3-12(11(15)6-8)17-13(18)9-4-5-16-7-10(9)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyDRVXKANXYAXTDX-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide

N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64949663) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64949663
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2F)c(N)c1
InChIInChI=1S/C13H12FN3O2/c1-19-8-2-3-12(11(15)6-8)17-13(18)9-4-5-16-7-10(9)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyDRVXKANXYAXTDX-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 64949663) is N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide is COc1ccc(NC(=O)c2ccncc2F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is DRVXKANXYAXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-8-2-3-12(11(15)6-8)17-13(18)9-4-5-16-7-10(9)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).