N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide

C14H15N5O2 — CID 60803551

IUPACN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C#CCCO)n1)n1cncn1
InChIInChI=1S/C14H15N5O2/c1-11(19-10-15-9-16-19)14(21)18-13-7-4-6-12(17-13)5-2-3-8-20/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18,21)
InChIKeyWBKQAXYSVUPJDP-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.61
Rot. Bonds4

About N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60803551) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60803551
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C#CCCO)n1)n1cncn1
InChIInChI=1S/C14H15N5O2/c1-11(19-10-15-9-16-19)14(21)18-13-7-4-6-12(17-13)5-2-3-8-20/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18,21)
InChIKeyWBKQAXYSVUPJDP-UHFFFAOYSA-N
XLogP0.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60803673
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 103121241
1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
CID 62699691
N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79048664
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 112690542
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 60803551) is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1cccc(C#CCCO)n1)n1cncn1.
What is the InChIKey of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WBKQAXYSVUPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-11(19-10-15-9-16-19)14(21)18-13-7-4-6-12(17-13)5-2-3-8-20/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18,21).
What are the key properties of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).