N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide

C26H34N4O3 — CID 3197325

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C26H34N4O3/c1-2-20-11-6-7-14-22(20)30(19-25(32)28-21-12-4-3-5-13-21)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,11,14-15,18,21H,2-5,10,12-13,16-17,19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyPXAMTQBCJTVFHV-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.23
Rot. Bonds10

About N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197325) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197325
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C26H34N4O3/c1-2-20-11-6-7-14-22(20)30(19-25(32)28-21-12-4-3-5-13-21)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,11,14-15,18,21H,2-5,10,12-13,16-17,19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyPXAMTQBCJTVFHV-UHFFFAOYSA-N
XLogP4.23
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197325) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide is CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is PXAMTQBCJTVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-2-20-11-6-7-14-22(20)30(19-25(32)28-21-12-4-3-5-13-21)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,11,14-15,18,21H,2-5,10,12-13,16-17,19H2,1H3,(H,28,32)(H,27,29,31).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 450.58 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).