N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide

C21H26N2O2 — CID 58210525

IUPACN-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-11-12-20(16(2)13-15)25-14-18-9-6-10-19(22-18)21(24)23-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,23,24)
InChIKeyPWTGIYQRBRTOAX-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.34
Rot. Bonds5

About N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide

N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide (PubChem CID 58210525) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
PubChem CID58210525
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-11-12-20(16(2)13-15)25-14-18-9-6-10-19(22-18)21(24)23-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,23,24)
InChIKeyPWTGIYQRBRTOAX-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
N-cyclohexyl-6-[(2,6-dichlorophenoxy)methyl]pyridine-2-carboxamide
CID 58211063
6-N-cyclohexyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095367
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
N-(cyclohexylcarbamoyl)-2-(2,4-dimethylphenoxy)acetamide
CID 7706804
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
CID 11988639
N-cyclooctyl-3-methylbenzamide
CID 966011

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide (CID 58210525) is N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide is Cc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(C)c1.
What is the InChIKey of N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide?
The InChIKey is PWTGIYQRBRTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-11-12-20(16(2)13-15)25-14-18-9-6-10-19(22-18)21(24)23-17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,23,24).
What are the key properties of N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide?
N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58210525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).