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

C23H30N4O4 — CID 647555

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccccn1
InChIInChI=1S/C23H30N4O4/c28-21(26-20-11-4-5-14-24-20)12-6-13-23(30)27(16-19-10-7-15-31-19)17-22(29)25-18-8-2-1-3-9-18/h4-5,7,10-11,14-15,18H,1-3,6,8-9,12-13,16-17H2,(H,25,29)(H,24,26,28)
InChIKeyYZHCPEMPUBIQMX-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.26
Rot. Bonds10

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

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide (PubChem CID 647555) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
PubChem CID647555
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccccn1
InChIInChI=1S/C23H30N4O4/c28-21(26-20-11-4-5-14-24-20)12-6-13-23(30)27(16-19-10-7-15-31-19)17-22(29)25-18-8-2-1-3-9-18/h4-5,7,10-11,14-15,18H,1-3,6,8-9,12-13,16-17H2,(H,25,29)(H,24,26,28)
InChIKeyYZHCPEMPUBIQMX-UHFFFAOYSA-N
XLogP3.26
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.26
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'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide (CID 647555) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide is O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is YZHCPEMPUBIQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-21(26-20-11-4-5-14-24-20)12-6-13-23(30)27(16-19-10-7-15-31-19)17-22(29)25-18-8-2-1-3-9-18/h4-5,7,10-11,14-15,18H,1-3,6,8-9,12-13,16-17H2,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 426.52 g/mol, XLogP of 3.26, 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'-(furan-2-ylmethyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 647555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).