6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C19H21N3O3 — CID 109094133

IUPAC6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H21N3O3/c1-4-12-20-18(23)15-9-7-10-16(21-15)19(24)22-14-8-5-6-11-17(14)25-13(2)3/h4-11,13H,1,12H2,2-3H3,(H,20,23)(H,22,24)
InChIKeyOGGRLAHANVJZAK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.04
Rot. Bonds7

About 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094133) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094133
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H21N3O3/c1-4-12-20-18(23)15-9-7-10-16(21-15)19(24)22-14-8-5-6-11-17(14)25-13(2)3/h4-11,13H,1,12H2,2-3H3,(H,20,23)(H,22,24)
InChIKeyOGGRLAHANVJZAK-UHFFFAOYSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.04
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

1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094128
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109096862
N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165373
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094126
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094133) is 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is OGGRLAHANVJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-12-20-18(23)15-9-7-10-16(21-15)19(24)22-14-8-5-6-11-17(14)25-13(2)3/h4-11,13H,1,12H2,2-3H3,(H,20,23)(H,22,24).
What are the key properties of 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).