3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide

C12H13FN4O2 — CID 105385271

IUPAC3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCc2cc(C)on2)c1F
InChIInChI=1S/C12H13FN4O2/c1-7-5-8(17-19-7)6-16-12(18)9-3-4-15-11(14-2)10(9)13/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyDNIKMAMFLMNXMX-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 105385271) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID105385271
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCc2cc(C)on2)c1F
InChIInChI=1S/C12H13FN4O2/c1-7-5-8(17-19-7)6-16-12(18)9-3-4-15-11(14-2)10(9)13/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyDNIKMAMFLMNXMX-UHFFFAOYSA-N
XLogP1.49
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (CID 105385271) is 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is CNc1nccc(C(=O)NCc2cc(C)on2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DNIKMAMFLMNXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-7-5-8(17-19-7)6-16-12(18)9-3-4-15-11(14-2)10(9)13/h3-5H,6H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105385271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).