2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide

C17H16FN5O2 — CID 121078971

IUPAC2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C17H16FN5O2/c1-22-15(12-5-4-8-19-11-12)21-23(17(22)25)10-9-20-16(24)13-6-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H,20,24)
InChIKeyBRMQIGKUIILAHT-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.21
Rot. Bonds5

About 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide

2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide (PubChem CID 121078971) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
PubChem CID121078971
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C17H16FN5O2/c1-22-15(12-5-4-8-19-11-12)21-23(17(22)25)10-9-20-16(24)13-6-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H,20,24)
InChIKeyBRMQIGKUIILAHT-UHFFFAOYSA-N
XLogP1.21
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(difluoromethylsulfanyl)-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079035
2-fluoro-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078450
2-chloro-4-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079000
2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
CID 121079039
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121078976
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 121079027
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121078336
3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
CID 121079010
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide
CID 121116427

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide (CID 121078971) is 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide is Cn1c(-c2cccnc2)nn(CCNC(=O)c2ccccc2F)c1=O.
What is the InChIKey of 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide?
The InChIKey is BRMQIGKUIILAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-15(12-5-4-8-19-11-12)21-23(17(22)25)10-9-20-16(24)13-6-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H,20,24).
What are the key properties of 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide has a molecular weight of 341.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 121078971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).