N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide

C15H19N5O2 — CID 86782237

IUPACN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide
SMILESC=CCOc1cccnc1C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C15H19N5O2/c1-5-9-22-11-7-6-8-16-12(11)14(21)18-15-17-13(10(2)3)19-20(15)4/h5-8,10H,1,9H2,2-4H3,(H,17,18,19,21)
InChIKeyPUXSMSKROIIDPN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.15
Rot. Bonds6

About N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide

N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide (PubChem CID 86782237) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide
PubChem CID86782237
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide
SMILESC=CCOc1cccnc1C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C15H19N5O2/c1-5-9-22-11-7-6-8-16-12(11)14(21)18-15-17-13(10(2)3)19-20(15)4/h5-8,10H,1,9H2,2-4H3,(H,17,18,19,21)
InChIKeyPUXSMSKROIIDPN-UHFFFAOYSA-N
XLogP2.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide?
The IUPAC name of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide (CID 86782237) is N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide?
The canonical SMILES for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide is C=CCOc1cccnc1C(=O)Nc1nc(C(C)C)nn1C.
What is the InChIKey of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide?
The InChIKey is PUXSMSKROIIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-5-9-22-11-7-6-8-16-12(11)14(21)18-15-17-13(10(2)3)19-20(15)4/h5-8,10H,1,9H2,2-4H3,(H,17,18,19,21).
What are the key properties of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide?
N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide is sourced from PubChem (CID 86782237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).