N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

C20H22FN5O — CID 53123541

IUPACN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCCCN(CC)C(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H22FN5O/c1-3-5-14-25(4-2)20(27)18-19(15-10-12-22-13-11-15)26(24-23-18)17-8-6-16(21)7-9-17/h6-13H,3-5,14H2,1-2H3
InChIKeyUABTVPMJRYWCQJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.73
Rot. Bonds7

About N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (PubChem CID 53123541) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
PubChem CID53123541
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCCCN(CC)C(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H22FN5O/c1-3-5-14-25(4-2)20(27)18-19(15-10-12-22-13-11-15)26(24-23-18)17-8-6-16(21)7-9-17/h6-13H,3-5,14H2,1-2H3
InChIKeyUABTVPMJRYWCQJ-UHFFFAOYSA-N
XLogP3.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44440435
N-{2-[4-(5-fluoropyridin-2-yl)-1H-pyrazol-1-yl]ethyl}-N,5-dimethyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 57388812
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (CID 53123541) is N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is CCCCN(CC)C(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is UABTVPMJRYWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-3-5-14-25(4-2)20(27)18-19(15-10-12-22-13-11-15)26(24-23-18)17-8-6-16(21)7-9-17/h6-13H,3-5,14H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 53123541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).