N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H21N5O — CID 84583948

IUPACN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(C)cc(C(NC(=O)C(C)n2cncn2)c2cccnc2)c1
InChIInChI=1S/C19H21N5O/c1-13-7-14(2)9-17(8-13)18(16-5-4-6-20-10-16)23-19(25)15(3)24-12-21-11-22-24/h4-12,15,18H,1-3H3,(H,23,25)
InChIKeySHGWARMSQWBBEQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds5

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

N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 84583948) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID84583948
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(C)cc(C(NC(=O)C(C)n2cncn2)c2cccnc2)c1
InChIInChI=1S/C19H21N5O/c1-13-7-14(2)9-17(8-13)18(16-5-4-6-20-10-16)23-19(25)15(3)24-12-21-11-22-24/h4-12,15,18H,1-3H3,(H,23,25)
InChIKeySHGWARMSQWBBEQ-UHFFFAOYSA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(S)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213232
(2S)-2-(cyclopropylmethoxy)-N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 95305125
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213174
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methoxypyridazine-3-carboxamide
CID 84584365
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34952535
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 84583948) is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1cc(C)cc(C(NC(=O)C(C)n2cncn2)c2cccnc2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SHGWARMSQWBBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-14(2)9-17(8-13)18(16-5-4-6-20-10-16)23-19(25)15(3)24-12-21-11-22-24/h4-12,15,18H,1-3H3,(H,23,25).
What are the key properties of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 84583948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).