N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide

C16H15N5O — CID 154833965

IUPACN-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccnc1-c1ccccc1)n1cncn1
InChIInChI=1S/C16H15N5O/c1-12(21-11-17-10-19-21)16(22)20-14-8-5-9-18-15(14)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)
InChIKeyCBJHZHVTCPSKMN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.54
Rot. Bonds4

About N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 154833965) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID154833965
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccnc1-c1ccccc1)n1cncn1
InChIInChI=1S/C16H15N5O/c1-12(21-11-17-10-19-21)16(22)20-14-8-5-9-18-15(14)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)
InChIKeyCBJHZHVTCPSKMN-UHFFFAOYSA-N
XLogP2.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 50965855
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532804
(2R)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532803
N-[4-[(5-nitro-6-phenyl-2-pyridinyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 133409355
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 154833965) is N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1cccnc1-c1ccccc1)n1cncn1.
What is the InChIKey of N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CBJHZHVTCPSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12(21-11-17-10-19-21)16(22)20-14-8-5-9-18-15(14)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22).
What are the key properties of N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 293.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 154833965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).