2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide

C17H17ClN2O4 — CID 44757541

IUPAC2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1OCCO1)C(=O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-20(11-15-22-9-10-23-15)17(21)14-3-2-8-19-16(14)24-13-6-4-12(18)5-7-13/h2-8,15H,9-11H2,1H3
InChIKeyLBURTXVLUOXONX-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide

2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 44757541) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID44757541
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1OCCO1)C(=O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-20(11-15-22-9-10-23-15)17(21)14-3-2-8-19-16(14)24-13-6-4-12(18)5-7-13/h2-8,15H,9-11H2,1H3
InChIKeyLBURTXVLUOXONX-UHFFFAOYSA-N
XLogP2.97
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide (CID 44757541) is 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide is CN(CC1OCCO1)C(=O)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is LBURTXVLUOXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-20(11-15-22-9-10-23-15)17(21)14-3-2-8-19-16(14)24-13-6-4-12(18)5-7-13/h2-8,15H,9-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3-dioxolan-2-ylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 44757541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).