N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide

C25H32N4O3 — CID 3197323

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C25H32N4O3/c1-19-9-7-12-21(17-19)29(18-24(31)27-20-10-3-2-4-11-20)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,9,12-13,16-17,20H,2-4,8,10-11,14-15,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyYKJNAVZCHRSEGO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.98
Rot. Bonds9

About N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197323) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197323
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C25H32N4O3/c1-19-9-7-12-21(17-19)29(18-24(31)27-20-10-3-2-4-11-20)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,9,12-13,16-17,20H,2-4,8,10-11,14-15,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyYKJNAVZCHRSEGO-UHFFFAOYSA-N
XLogP3.98
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.98
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'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197323) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide is Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is YKJNAVZCHRSEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-19-9-7-12-21(17-19)29(18-24(31)27-20-10-3-2-4-11-20)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,9,12-13,16-17,20H,2-4,8,10-11,14-15,18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 436.56 g/mol, XLogP of 3.98, 9 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'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).