N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C21H21FN4O — CID 53196932

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C21H21FN4O/c22-18-8-6-16(7-9-18)20-25-24-19-14-17(11-13-26(19)20)21(27)23-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,23,27)
InChIKeyZCYMWWJZHIGBIT-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53196932) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53196932
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C21H21FN4O/c22-18-8-6-16(7-9-18)20-25-24-19-14-17(11-13-26(19)20)21(27)23-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,23,27)
InChIKeyZCYMWWJZHIGBIT-UHFFFAOYSA-N
XLogP4.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828875
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647531
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16518613
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375075

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53196932) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is O=C(NCCC1=CCCCC1)c1ccn2c(-c3ccc(F)cc3)nnc2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is ZCYMWWJZHIGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-8-6-16(7-9-18)20-25-24-19-14-17(11-13-26(19)20)21(27)23-12-10-15-4-2-1-3-5-15/h4,6-9,11,13-14H,1-3,5,10,12H2,(H,23,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53196932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).