6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide

C18H21ClN4O2 — CID 109096585

IUPAC6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C18H21ClN4O2/c1-23(2)12-6-11-20-17(24)15-9-5-10-16(21-15)18(25)22-14-8-4-3-7-13(14)19/h3-5,7-10H,6,11-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyHCRCJRARWUCNGC-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.67
Rot. Bonds7

About 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide

6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide (PubChem CID 109096585) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
PubChem CID109096585
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C18H21ClN4O2/c1-23(2)12-6-11-20-17(24)15-9-5-10-16(21-15)18(25)22-14-8-4-3-7-13(14)19/h3-5,7-10H,6,11-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyHCRCJRARWUCNGC-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096412
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109096578
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
6-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097991
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide (CID 109096585) is 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The InChIKey is HCRCJRARWUCNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-23(2)12-6-11-20-17(24)15-9-5-10-16(21-15)18(25)22-14-8-4-3-7-13(14)19/h3-5,7-10H,6,11-12H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).