1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

C20H20ClN5O — CID 16674426

IUPAC1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C20H20ClN5O/c1-13(17-24-18(26-25-17)14-7-11-22-12-8-14)23-19(27)20(9-2-10-20)15-3-5-16(21)6-4-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyHSLKPBBPQBKARM-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.82
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 16674426) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID16674426
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C20H20ClN5O/c1-13(17-24-18(26-25-17)14-7-11-22-12-8-14)23-19(27)20(9-2-10-20)15-3-5-16(21)6-4-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyHSLKPBBPQBKARM-UHFFFAOYSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 51493984
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 16672583
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 143616095
1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545
2-chloro-N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
CID 7451540
N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-phenylpropanamide
CID 7451536
1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 138996297
N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-4-methoxycyclohexane-1-carboxamide
CID 126470559
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (CID 16674426) is 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is HSLKPBBPQBKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-13(17-24-18(26-25-17)14-7-11-22-12-8-14)23-19(27)20(9-2-10-20)15-3-5-16(21)6-4-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 16674426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).