5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide

C15H13Cl2N3O — CID 109180409

IUPAC5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H13Cl2N3O/c1-2-5-18-15(21)14-4-3-12(9-19-14)20-13-7-10(16)6-11(17)8-13/h2-4,6-9,20H,1,5H2,(H,18,21)
InChIKeyJVDCOMUGLYLBTK-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.05
Rot. Bonds5

About 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide

5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180409) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180409
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H13Cl2N3O/c1-2-5-18-15(21)14-4-3-12(9-19-14)20-13-7-10(16)6-11(17)8-13/h2-4,6-9,20H,1,5H2,(H,18,21)
InChIKeyJVDCOMUGLYLBTK-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.05
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

5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109180409) is 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is JVDCOMUGLYLBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-5-18-15(21)14-4-3-12(9-19-14)20-13-7-10(16)6-11(17)8-13/h2-4,6-9,20H,1,5H2,(H,18,21).
What are the key properties of 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide?
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).