6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C17H17N3O3 — CID 109094128

IUPAC6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H17N3O3/c1-3-10-18-16(21)14-8-5-9-15(20-14)17(22)19-12-6-4-7-13(11-12)23-2/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22)
InChIKeyZLPHQUYTOAPZFN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds6

About 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094128) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094128
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H17N3O3/c1-3-10-18-16(21)14-8-5-9-15(20-14)17(22)19-12-6-4-7-13(11-12)23-2/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22)
InChIKeyZLPHQUYTOAPZFN-UHFFFAOYSA-N
XLogP2.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094126
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
6-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100636
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110373154

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094128) is 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is ZLPHQUYTOAPZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-10-18-16(21)14-8-5-9-15(20-14)17(22)19-12-6-4-7-13(11-12)23-2/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22).
What are the key properties of 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).