N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide

C22H25N3O3 — CID 166281655

IUPACN-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide
SMILESO=C(Cc1cccnc1)Nc1ccc(C(=O)NCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H25N3O3/c26-20(17-6-2-1-3-7-17)15-24-22(28)18-8-10-19(11-9-18)25-21(27)13-16-5-4-12-23-14-16/h4-5,8-12,14,17H,1-3,6-7,13,15H2,(H,24,28)(H,25,27)
InChIKeyHZQUHLRNBBJEDM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.14
Rot. Bonds7

About N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide

N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide (PubChem CID 166281655) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide
PubChem CID166281655
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide
SMILESO=C(Cc1cccnc1)Nc1ccc(C(=O)NCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H25N3O3/c26-20(17-6-2-1-3-7-17)15-24-22(28)18-8-10-19(11-9-18)25-21(27)13-16-5-4-12-23-14-16/h4-5,8-12,14,17H,1-3,6-7,13,15H2,(H,24,28)(H,25,27)
InChIKeyHZQUHLRNBBJEDM-UHFFFAOYSA-N
XLogP3.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
CID 111433298
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide (CID 166281655) is N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide is O=C(Cc1cccnc1)Nc1ccc(C(=O)NCC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide?
The InChIKey is HZQUHLRNBBJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(17-6-2-1-3-7-17)15-24-22(28)18-8-10-19(11-9-18)25-21(27)13-16-5-4-12-23-14-16/h4-5,8-12,14,17H,1-3,6-7,13,15H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide?
N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 166281655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).