N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

C23H27N3O3 — CID 3225043

IUPACN-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)N(Cc1cccnc1)C1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C23H27N3O3/c1-16-9-10-21-20(12-16)26(23(28)17(2)29-21)15-22(27)25(19-7-3-4-8-19)14-18-6-5-11-24-13-18/h5-6,9-13,17,19H,3-4,7-8,14-15H2,1-2H3
InChIKeyCPBLBKOYIITINO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.48
Rot. Bonds5

About N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 3225043) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID3225043
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)N(Cc1cccnc1)C1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C23H27N3O3/c1-16-9-10-21-20(12-16)26(23(28)17(2)29-21)15-22(27)25(19-7-3-4-8-19)14-18-6-5-11-24-13-18/h5-6,9-13,17,19H,3-4,7-8,14-15H2,1-2H3
InChIKeyCPBLBKOYIITINO-UHFFFAOYSA-N
XLogP3.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 95051568
2-[(2S)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 1455975
N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3224980
ethyl 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 7242054
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 4083989
N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82032385
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 71943250
2-[(2S)-2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 94063588
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
1-cyclopentyl-3-(3,5-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4605264

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 3225043) is N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)N(Cc1cccnc1)C1CCCC1)C(=O)C(C)O2.
What is the InChIKey of N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CPBLBKOYIITINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-9-10-21-20(12-16)26(23(28)17(2)29-21)15-22(27)25(19-7-3-4-8-19)14-18-6-5-11-24-13-18/h5-6,9-13,17,19H,3-4,7-8,14-15H2,1-2H3.
What are the key properties of N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 3225043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).