2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide

C21H25N3O4 — CID 109081613

IUPAC2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-16(13-19(18)28-2)24-20(25)14-10-11-22-17(12-14)21(26)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVPQQSIPOGRWPBZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.41
Rot. Bonds6

About 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide

2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109081613) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109081613
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-16(13-19(18)28-2)24-20(25)14-10-11-22-17(12-14)21(26)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVPQQSIPOGRWPBZ-UHFFFAOYSA-N
XLogP3.41
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide (CID 109081613) is 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1OC.
What is the InChIKey of 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is VPQQSIPOGRWPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-9-8-16(13-19(18)28-2)24-20(25)14-10-11-22-17(12-14)21(26)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).