6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C16H13Cl2N3O2 — CID 109094177

IUPAC6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23)
InChIKeyCYUDOCQVTNOXSH-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.56
Rot. Bonds5

About 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094177) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094177
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23)
InChIKeyCYUDOCQVTNOXSH-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094126
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094128
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
N-(3,4-dichlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239927
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
CID 136863629
2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 39042283
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094177) is 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is CYUDOCQVTNOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23).
What are the key properties of 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).