N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C14H11Cl2N3O — CID 7334458

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C14H11Cl2N3O/c1-9-2-3-11(7-17-9)14(20)19-18-8-10-4-5-12(15)6-13(10)16/h2-8H,1H3,(H,19,20)/b18-8+
InChIKeyBWJYJHWZILXDGJ-QGMBQPNBSA-N
MW308.17 g/mol
LogP3.46
Rot. Bonds3

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 7334458) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID7334458
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C14H11Cl2N3O/c1-9-2-3-11(7-17-9)14(20)19-18-8-10-4-5-12(15)6-13(10)16/h2-8H,1H3,(H,19,20)/b18-8+
InChIKeyBWJYJHWZILXDGJ-QGMBQPNBSA-N
XLogP3.46
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.46
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

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1390262
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 7334458) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is BWJYJHWZILXDGJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-9-2-3-11(7-17-9)14(20)19-18-8-10-4-5-12(15)6-13(10)16/h2-8H,1H3,(H,19,20)/b18-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 308.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 7334458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).