2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide

C21H27N3O3 — CID 143828066

IUPAC2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
SMILESC=C(C)c1ccc(NC(=O)c2cc(OCC(C)C)nc(OC(C)C)c2)nc1
InChIInChI=1S/C21H27N3O3/c1-13(2)12-26-19-9-17(10-20(24-19)27-15(5)6)21(25)23-18-8-7-16(11-22-18)14(3)4/h7-11,13,15H,3,12H2,1-2,4-6H3,(H,22,23,25)
InChIKeyDHVACUIHLXPMSP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.58
Rot. Bonds8

About 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide

2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 143828066) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
PubChem CID143828066
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
SMILESC=C(C)c1ccc(NC(=O)c2cc(OCC(C)C)nc(OC(C)C)c2)nc1
InChIInChI=1S/C21H27N3O3/c1-13(2)12-26-19-9-17(10-20(24-19)27-15(5)6)21(25)23-18-8-7-16(11-22-18)14(3)4/h7-11,13,15H,3,12H2,1-2,4-6H3,(H,22,23,25)
InChIKeyDHVACUIHLXPMSP-UHFFFAOYSA-N
XLogP4.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide (CID 143828066) is 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide is C=C(C)c1ccc(NC(=O)c2cc(OCC(C)C)nc(OC(C)C)c2)nc1.
What is the InChIKey of 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is DHVACUIHLXPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)12-26-19-9-17(10-20(24-19)27-15(5)6)21(25)23-18-8-7-16(11-22-18)14(3)4/h7-11,13,15H,3,12H2,1-2,4-6H3,(H,22,23,25).
What are the key properties of 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide?
2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 143828066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).