3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C14H19N5O2 — CID 56822000

IUPAC3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCC(C)COCCC(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C14H19N5O2/c1-11(2)8-21-7-5-13(20)18-12-4-3-6-16-14(12)19-10-15-9-17-19/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)
InChIKeyGIRMZJQOHGWSSO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.66
Rot. Bonds7

About 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 56822000) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID56822000
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCC(C)COCCC(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C14H19N5O2/c1-11(2)8-21-7-5-13(20)18-12-4-3-6-16-14(12)19-10-15-9-17-19/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)
InChIKeyGIRMZJQOHGWSSO-UHFFFAOYSA-N
XLogP1.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 56822000) is 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is CC(C)COCCC(=O)Nc1cccnc1-n1cncn1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is GIRMZJQOHGWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11(2)8-21-7-5-13(20)18-12-4-3-6-16-14(12)19-10-15-9-17-19/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 56822000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).