6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide

C22H27N3O2 — CID 109099263

IUPAC6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C22H27N3O2/c1-15-9-7-10-16(2)20(15)25-22(27)19-14-8-13-18(24-19)21(26)23-17-11-5-3-4-6-12-17/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyVRHXHFPHMNYDIE-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.40
Rot. Bonds4

About 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide

6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109099263) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109099263
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C22H27N3O2/c1-15-9-7-10-16(2)20(15)25-22(27)19-14-8-13-18(24-19)21(26)23-17-11-5-3-4-6-12-17/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyVRHXHFPHMNYDIE-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,6-dicarboxamide
CID 109095028
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide (CID 109099263) is 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide is Cc1cccc(C)c1NC(=O)c1cccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is VRHXHFPHMNYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-9-7-10-16(2)20(15)25-22(27)19-14-8-13-18(24-19)21(26)23-17-11-5-3-4-6-12-17/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide?
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).