5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide

C15H16FN5O — CID 133108099

IUPAC5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1NNNC1c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O/c16-11-6-4-10(5-7-11)13-14(20-21-19-13)15(22)18-9-12-3-1-2-8-17-12/h1-8,13-14,19-21H,9H2,(H,18,22)
InChIKeyXJWJNDQEEFPSPM-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.56
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide (PubChem CID 133108099) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
PubChem CID133108099
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1NNNC1c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O/c16-11-6-4-10(5-7-11)13-14(20-21-19-13)15(22)18-9-12-3-1-2-8-17-12/h1-8,13-14,19-21H,9H2,(H,18,22)
InChIKeyXJWJNDQEEFPSPM-UHFFFAOYSA-N
XLogP0.56
TPSA78.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolidine-3-carboxamide
CID 85499054
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
(2S)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 40697022

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide (CID 133108099) is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide is O=C(NCc1ccccn1)C1NNNC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide?
The InChIKey is XJWJNDQEEFPSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-11-6-4-10(5-7-11)13-14(20-21-19-13)15(22)18-9-12-3-1-2-8-17-12/h1-8,13-14,19-21H,9H2,(H,18,22).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide?
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide is sourced from PubChem (CID 133108099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).