2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide

C21H25N3O3 — CID 109081527

IUPAC2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWORSTCUDEOSLCI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.08
Rot. Bonds6

About 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide

2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109081527) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109081527
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWORSTCUDEOSLCI-UHFFFAOYSA-N
XLogP3.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109078635
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109081527) is 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is COc1ccc(CNC(=O)c2ccnc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is WORSTCUDEOSLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).