3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide

C15H15Cl2N3O — CID 26819882

IUPAC3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)11-5-3-10(4-6-11)9-18-15(21)14-12(16)7-8-13(17)19-14/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyBBNMFNQJPIAOFF-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.38
Rot. Bonds4

About 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide

3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 26819882) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
PubChem CID26819882
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)11-5-3-10(4-6-11)9-18-15(21)14-12(16)7-8-13(17)19-14/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyBBNMFNQJPIAOFF-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857022
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide (CID 26819882) is 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide is CN(C)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is BBNMFNQJPIAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)11-5-3-10(4-6-11)9-18-15(21)14-12(16)7-8-13(17)19-14/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 26819882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).