N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C14H12ClN3O — CID 5370945

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H12ClN3O/c1-10-5-6-12(9-16-10)14(19)18-17-8-11-3-2-4-13(15)7-11/h2-9H,1H3,(H,18,19)/b17-8-
InChIKeyXCLGURYKKAZIPJ-IUXPMGMMSA-N
MW273.72 g/mol
LogP2.81
Rot. Bonds3

About N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 5370945) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID5370945
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H12ClN3O/c1-10-5-6-12(9-16-10)14(19)18-17-8-11-3-2-4-13(15)7-11/h2-9H,1H3,(H,18,19)/b17-8-
InChIKeyXCLGURYKKAZIPJ-IUXPMGMMSA-N
XLogP2.81
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.81
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)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 5370945) is N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is XCLGURYKKAZIPJ-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10-5-6-12(9-16-10)14(19)18-17-8-11-3-2-4-13(15)7-11/h2-9H,1H3,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 5370945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).