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

C22H28N4O2 — CID 109098676

IUPAC2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C22H28N4O2/c1-26(16-13-17-11-14-23-15-12-17)22(28)20-10-6-9-19(25-20)21(27)24-18-7-4-2-3-5-8-18/h6,9-12,14-15,18H,2-5,7-8,13,16H2,1H3,(H,24,27)
InChIKeyBLQAFJSIDLQJKM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.24
Rot. Bonds6

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

2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098676) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
PubChem CID109098676
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C22H28N4O2/c1-26(16-13-17-11-14-23-15-12-17)22(28)20-10-6-9-19(25-20)21(27)24-18-7-4-2-3-5-8-18/h6,9-12,14-15,18H,2-5,7-8,13,16H2,1H3,(H,24,27)
InChIKeyBLQAFJSIDLQJKM-UHFFFAOYSA-N
XLogP3.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide (CID 109098676) is 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is CN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is BLQAFJSIDLQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-26(16-13-17-11-14-23-15-12-17)22(28)20-10-6-9-19(25-20)21(27)24-18-7-4-2-3-5-8-18/h6,9-12,14-15,18H,2-5,7-8,13,16H2,1H3,(H,24,27).
What are the key properties of 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide?
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).