N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

C15H13Cl2N3O — CID 109224323

IUPACN-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-2-5-19-12-6-10(8-18-9-12)15(21)20-14-4-3-11(16)7-13(14)17/h2-4,6-9,19H,1,5H2,(H,20,21)
InChIKeyNLRXCBOKGWVFAG-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.24
Rot. Bonds5

About N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224323) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224323
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-2-5-19-12-6-10(8-18-9-12)15(21)20-14-4-3-11(16)7-13(14)17/h2-4,6-9,19H,1,5H2,(H,20,21)
InChIKeyNLRXCBOKGWVFAG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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

N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
N-(2,4-dichlorophenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109248027
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224323) is N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is NLRXCBOKGWVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-5-19-12-6-10(8-18-9-12)15(21)20-14-4-3-11(16)7-13(14)17/h2-4,6-9,19H,1,5H2,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).