2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide

C15H15ClN4O — CID 4592443

IUPAC2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN4O/c1-20(2)12-7-5-11(6-8-12)10-18-19-15(21)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H,19,21)
InChIKeyITSZJIYKTNUMRV-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 4592443) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID4592443
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN4O/c1-20(2)12-7-5-11(6-8-12)10-18-19-15(21)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H,19,21)
InChIKeyITSZJIYKTNUMRV-UHFFFAOYSA-N
XLogP2.56
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.56
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

2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 4036296
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
2-chloro-N-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4997458
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
CID 177470196
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
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
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
ethyl 2-[2,6-dichloro-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3925108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide (CID 4592443) is 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide is CN(C)c1ccc(C=NNC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is ITSZJIYKTNUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-20(2)12-7-5-11(6-8-12)10-18-19-15(21)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4592443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).