N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide

C15H13Cl2N3O — CID 4836955

IUPACN-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-2-14(10-5-6-12(16)13(17)8-10)19-20-15(21)11-4-3-7-18-9-11/h3-9H,2H2,1H3,(H,20,21)
InChIKeyASTDEMMOMRJDFB-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide

N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide (PubChem CID 4836955) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
PubChem CID4836955
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-2-14(10-5-6-12(16)13(17)8-10)19-20-15(21)11-4-3-7-18-9-11/h3-9H,2H2,1H3,(H,20,21)
InChIKeyASTDEMMOMRJDFB-UHFFFAOYSA-N
XLogP3.93
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
3,4-dichloro-N-[[1-(3,4-dichlorophenyl)-2-nitrosoethylidene]amino]benzamide
CID 91446441
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide (CID 4836955) is N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide is CCC(=NNC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The InChIKey is ASTDEMMOMRJDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-14(10-5-6-12(16)13(17)8-10)19-20-15(21)11-4-3-7-18-9-11/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4836955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).