3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

C11H13FN6O — CID 105386573

IUPAC3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCc2ncn[nH]2)c1F
InChIInChI=1S/C11H13FN6O/c1-13-10-9(12)7(2-4-14-10)11(19)15-5-3-8-16-6-17-18-8/h2,4,6H,3,5H2,1H3,(H,13,14)(H,15,19)(H,16,17,18)
InChIKeyXKCYSCBHYYFWJK-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.35
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105386573) has the molecular formula C11H13FN6O and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID105386573
Molecular FormulaC11H13FN6O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCc2ncn[nH]2)c1F
InChIInChI=1S/C11H13FN6O/c1-13-10-9(12)7(2-4-14-10)11(19)15-5-3-8-16-6-17-18-8/h2,4,6H,3,5H2,1H3,(H,13,14)(H,15,19)(H,16,17,18)
InChIKeyXKCYSCBHYYFWJK-UHFFFAOYSA-N
XLogP0.35
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
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-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (CID 105386573) is 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is CNc1nccc(C(=O)NCCc2ncn[nH]2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is XKCYSCBHYYFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O/c1-13-10-9(12)7(2-4-14-10)11(19)15-5-3-8-16-6-17-18-8/h2,4,6H,3,5H2,1H3,(H,13,14)(H,15,19)(H,16,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105386573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).