N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide

C22H19N5O — CID 16677411

IUPACN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccccc1C(NC(=O)c1cccc(-n2cnnc2)c1)c1ccncc1
InChIInChI=1S/C22H19N5O/c1-16-5-2-3-8-20(16)21(17-9-11-23-12-10-17)26-22(28)18-6-4-7-19(13-18)27-14-24-25-15-27/h2-15,21H,1H3,(H,26,28)
InChIKeyFFFCPNBSSLOXCL-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 16677411) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID16677411
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccccc1C(NC(=O)c1cccc(-n2cnnc2)c1)c1ccncc1
InChIInChI=1S/C22H19N5O/c1-16-5-2-3-8-20(16)21(17-9-11-23-12-10-17)26-22(28)18-6-4-7-19(13-18)27-14-24-25-15-27/h2-15,21H,1H3,(H,26,28)
InChIKeyFFFCPNBSSLOXCL-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 6457614
4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 97187022
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 16677411) is N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide is Cc1ccccc1C(NC(=O)c1cccc(-n2cnnc2)c1)c1ccncc1.
What is the InChIKey of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is FFFCPNBSSLOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-16-5-2-3-8-20(16)21(17-9-11-23-12-10-17)26-22(28)18-6-4-7-19(13-18)27-14-24-25-15-27/h2-15,21H,1H3,(H,26,28).
What are the key properties of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 369.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 16677411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).