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)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=N2)Cl)Cl
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
MW324.20 g/mol
LogP3.70
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 324.20 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 Weight324.20 g/mol
Exact Mass323.06
IUPAC Name3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=N2)Cl)Cl
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
XLogP3.70
TPSA45.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.70
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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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)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=N2)Cl)Cl.
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 324.20 g/mol, XLogP of 3.70, 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).