2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide

C20H27N5O2 — CID 109096535

IUPAC2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H27N5O2/c1-24(2)14-5-11-22-19(26)17-6-4-7-18(23-17)20(27)25(3)15-10-16-8-12-21-13-9-16/h4,6-9,12-13H,5,10-11,14-15H2,1-3H3,(H,22,26)
InChIKeyRSHFUDRXAMHBEW-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.47
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide

2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096535) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
PubChem CID109096535
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H27N5O2/c1-24(2)14-5-11-22-19(26)17-6-4-7-18(23-17)20(27)25(3)15-10-16-8-12-21-13-9-16/h4,6-9,12-13H,5,10-11,14-15H2,1-3H3,(H,22,26)
InChIKeyRSHFUDRXAMHBEW-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (CID 109096535) is 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is RSHFUDRXAMHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(2)14-5-11-22-19(26)17-6-4-7-18(23-17)20(27)25(3)15-10-16-8-12-21-13-9-16/h4,6-9,12-13H,5,10-11,14-15H2,1-3H3,(H,22,26).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).