2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide

C15H14Cl2N4O — CID 2776651

IUPAC2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N4O/c1-21(2)12-5-3-10(4-6-12)9-18-20-15(22)11-7-13(16)19-14(17)8-11/h3-9H,1-2H3,(H,20,22)
InChIKeyZUOPNJZTWUXTRK-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.22
Rot. Bonds4

About 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide

2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 2776651) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID2776651
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N4O/c1-21(2)12-5-3-10(4-6-12)9-18-20-15(22)11-7-13(16)19-14(17)8-11/h3-9H,1-2H3,(H,20,22)
InChIKeyZUOPNJZTWUXTRK-UHFFFAOYSA-N
XLogP3.22
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-diiodobenzamide
CID 13443213
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-di(125I)iodo(125I2)benzamide
CID 13443214
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
CID 3659408

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide (CID 2776651) is 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide is CN(C)c1ccc(C=NNC(=O)c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is ZUOPNJZTWUXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-21(2)12-5-3-10(4-6-12)9-18-20-15(22)11-7-13(16)19-14(17)8-11/h3-9H,1-2H3,(H,20,22).
What are the key properties of 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 2776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).