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

C17H17N5O — CID 166581426

IUPACN-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCN(C(=O)CCc1ccccc1)c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H17N5O/c1-22(15(23)8-7-13-5-3-2-4-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h2-6,9-12H,7-8H2,1H3,(H,19,20,21)
InChIKeySGNHRQYLBISKPO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds5

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

N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 166581426) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID166581426
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCN(C(=O)CCc1ccccc1)c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H17N5O/c1-22(15(23)8-7-13-5-3-2-4-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h2-6,9-12H,7-8H2,1H3,(H,19,20,21)
InChIKeySGNHRQYLBISKPO-UHFFFAOYSA-N
XLogP2.46
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 166581426) is N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide is CN(C(=O)CCc1ccccc1)c1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SGNHRQYLBISKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-22(15(23)8-7-13-5-3-2-4-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h2-6,9-12H,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide?
N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 307.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 166581426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).