N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide

C15H13Cl2N3O — CID 6073439

IUPACN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-2-14(12-6-5-11(16)8-13(12)17)19-20-15(21)10-4-3-7-18-9-10/h3-9H,2H2,1H3,(H,20,21)/b19-14-
InChIKeyCGHDZGSYBRPEER-RGEXLXHISA-N
MW322.20 g/mol
LogP3.93
Rot. Bonds4

About N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide (PubChem CID 6073439) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
PubChem CID6073439
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-2-14(12-6-5-11(16)8-13(12)17)19-20-15(21)10-4-3-7-18-9-10/h3-9H,2H2,1H3,(H,20,21)/b19-14-
InChIKeyCGHDZGSYBRPEER-RGEXLXHISA-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
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide (CID 6073439) is N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide is CC/C(=N/NC(=O)c1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
The InChIKey is CGHDZGSYBRPEER-RGEXLXHISA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-14(12-6-5-11(16)8-13(12)17)19-20-15(21)10-4-3-7-18-9-10/h3-9H,2H2,1H3,(H,20,21)/b19-14-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(2,4-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-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6073439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).