3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide

C19H20ClN5O — CID 118767326

IUPAC3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1cnnc1C(C)NC(=O)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C19H20ClN5O/c1-3-9-25-12-22-24-18(25)13(2)23-19(26)15-6-4-5-14(10-15)17-8-7-16(20)11-21-17/h4-8,10-13H,3,9H2,1-2H3,(H,23,26)
InChIKeyHUQKCRKOLMQODB-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.89
Rot. Bonds6

About 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide

3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 118767326) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID118767326
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1cnnc1C(C)NC(=O)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C19H20ClN5O/c1-3-9-25-12-22-24-18(25)13(2)23-19(26)15-6-4-5-14(10-15)17-8-7-16(20)11-21-17/h4-8,10-13H,3,9H2,1-2H3,(H,23,26)
InChIKeyHUQKCRKOLMQODB-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 125166274
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 119065793
2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95129499
3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126448711
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 118795480
4,5-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrol-1-ylthiophene-3-carboxamide
CID 125161928
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 124757879
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
3-amino-4-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119351
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 118767326) is 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is CCCn1cnnc1C(C)NC(=O)c1cccc(-c2ccc(Cl)cn2)c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is HUQKCRKOLMQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-3-9-25-12-22-24-18(25)13(2)23-19(26)15-6-4-5-14(10-15)17-8-7-16(20)11-21-17/h4-8,10-13H,3,9H2,1-2H3,(H,23,26).
What are the key properties of 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 369.86 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 118767326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).