N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide

C23H21N5O — CID 166187725

IUPACN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
SMILESCc1ccc(CC(NC(=O)c2ccc(-n3ccnn3)cc2)c2ccccn2)cc1
InChIInChI=1S/C23H21N5O/c1-17-5-7-18(8-6-17)16-22(21-4-2-3-13-24-21)26-23(29)19-9-11-20(12-10-19)28-15-14-25-27-28/h2-15,22H,16H2,1H3,(H,26,29)
InChIKeyQIRPOHTWYYDGPH-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide (PubChem CID 166187725) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
PubChem CID166187725
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
SMILESCc1ccc(CC(NC(=O)c2ccc(-n3ccnn3)cc2)c2ccccn2)cc1
InChIInChI=1S/C23H21N5O/c1-17-5-7-18(8-6-17)16-22(21-4-2-3-13-24-21)26-23(29)19-9-11-20(12-10-19)28-15-14-25-27-28/h2-15,22H,16H2,1H3,(H,26,29)
InChIKeyQIRPOHTWYYDGPH-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119887634
4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 86960523
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
CID 157198147
N-[(2S)-2-anilinopropyl]-4-(triazol-1-yl)benzamide
CID 97082837

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide (CID 166187725) is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide is Cc1ccc(CC(NC(=O)c2ccc(-n3ccnn3)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide?
The InChIKey is QIRPOHTWYYDGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-17-5-7-18(8-6-17)16-22(21-4-2-3-13-24-21)26-23(29)19-9-11-20(12-10-19)28-15-14-25-27-28/h2-15,22H,16H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide?
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide has a molecular weight of 383.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 166187725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).