6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide

C20H26N4O2 — CID 109098678

IUPAC6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H26N4O2/c1-3-4-5-12-22-19(25)17-7-6-8-18(23-17)20(26)24(2)15-11-16-9-13-21-14-10-16/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,25)
InChIKeyPMYWBKAHVUOWRE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.71
Rot. Bonds9

About 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide

6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098678) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
PubChem CID109098678
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H26N4O2/c1-3-4-5-12-22-19(25)17-7-6-8-18(23-17)20(26)24(2)15-11-16-9-13-21-14-10-16/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,25)
InChIKeyPMYWBKAHVUOWRE-UHFFFAOYSA-N
XLogP2.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
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
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
6-N-butyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109098641
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (CID 109098678) is 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)N(C)CCc2ccncc2)n1.
What is the InChIKey of 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is PMYWBKAHVUOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-4-5-12-22-19(25)17-7-6-8-18(23-17)20(26)24(2)15-11-16-9-13-21-14-10-16/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,25).
What are the key properties of 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).