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

C22H27N3O3 — CID 109081392

IUPAC4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)NC3CCCCC3)ccn2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-19-9-7-16(8-10-19)11-13-24-22(27)20-15-17(12-14-23-20)21(26)25-18-5-3-2-4-6-18/h7-10,12,14-15,18H,2-6,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyRJGPVPHHMMPPMR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.13
Rot. Bonds7

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

4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109081392) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109081392
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)NC3CCCCC3)ccn2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-19-9-7-16(8-10-19)11-13-24-22(27)20-15-17(12-14-23-20)21(26)25-18-5-3-2-4-6-18/h7-10,12,14-15,18H,2-6,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyRJGPVPHHMMPPMR-UHFFFAOYSA-N
XLogP3.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109081392) is 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide is COc1ccc(CCNC(=O)c2cc(C(=O)NC3CCCCC3)ccn2)cc1.
What is the InChIKey of 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is RJGPVPHHMMPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-19-9-7-16(8-10-19)11-13-24-22(27)20-15-17(12-14-23-20)21(26)25-18-5-3-2-4-6-18/h7-10,12,14-15,18H,2-6,11,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide?
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).