N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C17H17N5O2 — CID 109388013

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C17H17N5O2/c23-10-15(8-13-4-2-1-3-5-13)21-17(24)14-6-7-19-16(9-14)22-12-18-11-20-22/h1-7,9,11-12,15,23H,8,10H2,(H,21,24)
InChIKeyXPWUXVVBRMDDEV-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.00
Rot. Bonds6

About N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 109388013) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID109388013
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C17H17N5O2/c23-10-15(8-13-4-2-1-3-5-13)21-17(24)14-6-7-19-16(9-14)22-12-18-11-20-22/h1-7,9,11-12,15,23H,8,10H2,(H,21,24)
InChIKeyXPWUXVVBRMDDEV-UHFFFAOYSA-N
XLogP1.00
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-(2-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47070401
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51102624
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 109388013) is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NC(CO)Cc1ccccc1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is XPWUXVVBRMDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-10-15(8-13-4-2-1-3-5-13)21-17(24)14-6-7-19-16(9-14)22-12-18-11-20-22/h1-7,9,11-12,15,23H,8,10H2,(H,21,24).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109388013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).