4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

C14H20N2O3 — CID 166385809

IUPAC4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1cnccc1C1OCCO1
InChIInChI=1S/C14H20N2O3/c1-9(2)10(3)16-13(17)12-8-15-5-4-11(12)14-18-6-7-19-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,16,17)
InChIKeyJPVLQUABYSUGRH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.90
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 166385809) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID166385809
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1cnccc1C1OCCO1
InChIInChI=1S/C14H20N2O3/c1-9(2)10(3)16-13(17)12-8-15-5-4-11(12)14-18-6-7-19-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,16,17)
InChIKeyJPVLQUABYSUGRH-UHFFFAOYSA-N
XLogP1.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (CID 166385809) is 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)C(C)NC(=O)c1cnccc1C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JPVLQUABYSUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)10(3)16-13(17)12-8-15-5-4-11(12)14-18-6-7-19-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166385809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).