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

C25H32N4O4 — CID 3197333

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C25H32N4O4/c1-33-21-12-7-11-20(17-21)29(18-24(31)27-19-9-3-2-4-10-19)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,11-13,16-17,19H,2-4,8-10,14-15,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyGQUIKPQOHYWSMO-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.68
Rot. Bonds10

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

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197333) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197333
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C25H32N4O4/c1-33-21-12-7-11-20(17-21)29(18-24(31)27-19-9-3-2-4-10-19)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,11-13,16-17,19H,2-4,8-10,14-15,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyGQUIKPQOHYWSMO-UHFFFAOYSA-N
XLogP3.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide (CID 3197333) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide is COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is GQUIKPQOHYWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-33-21-12-7-11-20(17-21)29(18-24(31)27-19-9-3-2-4-10-19)25(32)15-8-14-23(30)28-22-13-5-6-16-26-22/h5-7,11-13,16-17,19H,2-4,8-10,14-15,18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 452.56 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).