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

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Related Compounds

3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172
3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 105386926
5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404

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).