N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide

C22H27N3O2 — CID 154806489

IUPACN-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide
SMILESCC(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C22H27N3O2/c1-16(18-10-7-13-23-15-18)14-21(26)24-19-11-5-6-12-20(19)25-22(27)17-8-3-2-4-9-17/h2-4,7-10,13,15-16,19-20H,5-6,11-12,14H2,1H3,(H,24,26)(H,25,27)/t16?,19-,20-/m1/s1
InChIKeyGPNAMXOZASGAIF-ODFWGIBRSA-N
MW365.48 g/mol
LogP3.43
Rot. Bonds6

About N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide

N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide (PubChem CID 154806489) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide
PubChem CID154806489
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide
SMILESCC(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C22H27N3O2/c1-16(18-10-7-13-23-15-18)14-21(26)24-19-11-5-6-12-20(19)25-22(27)17-8-3-2-4-9-17/h2-4,7-10,13,15-16,19-20H,5-6,11-12,14H2,1H3,(H,24,26)(H,25,27)/t16?,19-,20-/m1/s1
InChIKeyGPNAMXOZASGAIF-ODFWGIBRSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide (CID 154806489) is N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide is CC(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide?
The InChIKey is GPNAMXOZASGAIF-ODFWGIBRSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(18-10-7-13-23-15-18)14-21(26)24-19-11-5-6-12-20(19)25-22(27)17-8-3-2-4-9-17/h2-4,7-10,13,15-16,19-20H,5-6,11-12,14H2,1H3,(H,24,26)(H,25,27)/t16?,19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide?
N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide is sourced from PubChem (CID 154806489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).