2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide

C24H33N3O3 — CID 23632472

IUPAC2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cccnc2NC2CCCCC2)cc1OCC
InChIInChI=1S/C24H33N3O3/c1-3-29-21-13-12-18(17-22(21)30-4-2)14-16-26-24(28)20-11-8-15-25-23(20)27-19-9-6-5-7-10-19/h8,11-13,15,17,19H,3-7,9-10,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCTFLORDXBYTDP-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.60
Rot. Bonds10

About 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide

2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 23632472) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID23632472
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cccnc2NC2CCCCC2)cc1OCC
InChIInChI=1S/C24H33N3O3/c1-3-29-21-13-12-18(17-22(21)30-4-2)14-16-26-24(28)20-11-8-15-25-23(20)27-19-9-6-5-7-10-19/h8,11-13,15,17,19H,3-7,9-10,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCTFLORDXBYTDP-UHFFFAOYSA-N
XLogP4.60
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide (CID 23632472) is 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide is CCOc1ccc(CCNC(=O)c2cccnc2NC2CCCCC2)cc1OCC.
What is the InChIKey of 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is WCTFLORDXBYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-29-21-13-12-18(17-22(21)30-4-2)14-16-26-24(28)20-11-8-15-25-23(20)27-19-9-6-5-7-10-19/h8,11-13,15,17,19H,3-7,9-10,14,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide?
2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 23632472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).