3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide

C18H19N5O — CID 166581420

IUPAC3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-12-3-4-14(13(2)11-12)5-6-16(24)20-18-21-17(22-23-18)15-7-9-19-10-8-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyAJFWXGHPSLBVCR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.05
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 166581420) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID166581420
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-12-3-4-14(13(2)11-12)5-6-16(24)20-18-21-17(22-23-18)15-7-9-19-10-8-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyAJFWXGHPSLBVCR-UHFFFAOYSA-N
XLogP3.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 167831441
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007
3-imidazo[1,2-a]pyridin-2-yl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 166581398
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 11537271
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120566818
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9246371
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
CID 32868420
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 166581420) is 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide is Cc1ccc(CCC(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is AJFWXGHPSLBVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-3-4-14(13(2)11-12)5-6-16(24)20-18-21-17(22-23-18)15-7-9-19-10-8-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 166581420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).