N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C24H30N4O3 — CID 3204906

IUPACN'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C24H30N4O3/c29-22(27-21-13-7-8-16-25-21)14-15-24(31)28(17-19-9-3-1-4-10-19)18-23(30)26-20-11-5-2-6-12-20/h1,3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17-18H2,(H,26,30)(H,25,27,29)
InChIKeyGVMQUCGRMXYKRT-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.28
Rot. Bonds9

About N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204906) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204906
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C24H30N4O3/c29-22(27-21-13-7-8-16-25-21)14-15-24(31)28(17-19-9-3-1-4-10-19)18-23(30)26-20-11-5-2-6-12-20/h1,3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17-18H2,(H,26,30)(H,25,27,29)
InChIKeyGVMQUCGRMXYKRT-UHFFFAOYSA-N
XLogP3.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3204906) is N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1.
What is the InChIKey of N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is GVMQUCGRMXYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-22(27-21-13-7-8-16-25-21)14-15-24(31)28(17-19-9-3-1-4-10-19)18-23(30)26-20-11-5-2-6-12-20/h1,3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17-18H2,(H,26,30)(H,25,27,29).
What are the key properties of N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 422.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).