N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide

C15H14ClN3O — CID 6241485

IUPACN-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O/c1-2-14(11-5-3-7-13(16)9-11)18-19-15(20)12-6-4-8-17-10-12/h3-10H,2H2,1H3,(H,19,20)/b18-14-
InChIKeyLMGYOZNFALFRRN-JXAWBTAJSA-N
MW287.75 g/mol
LogP3.28
Rot. Bonds4

About N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide (PubChem CID 6241485) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
PubChem CID6241485
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O/c1-2-14(11-5-3-7-13(16)9-11)18-19-15(20)12-6-4-8-17-10-12/h3-10H,2H2,1H3,(H,19,20)/b18-14-
InChIKeyLMGYOZNFALFRRN-JXAWBTAJSA-N
XLogP3.28
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.28
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-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
CID 91076214
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide (CID 6241485) is N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide is CC/C(=N/NC(=O)c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide?
The InChIKey is LMGYOZNFALFRRN-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-2-14(11-5-3-7-13(16)9-11)18-19-15(20)12-6-4-8-17-10-12/h3-10H,2H2,1H3,(H,19,20)/b18-14-.
What are the key properties of N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6241485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).