N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C21H24N2O4 — CID 52831460

IUPACN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc2c1OCCO2
InChIInChI=1S/C21H24N2O4/c24-21(17-7-4-8-18-20(17)26-12-11-25-18)23-14-15-9-10-22-19(13-15)27-16-5-2-1-3-6-16/h4,7-10,13,16H,1-3,5-6,11-12,14H2,(H,23,24)
InChIKeyFZGIEKBATMUJHR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 52831460) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID52831460
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc2c1OCCO2
InChIInChI=1S/C21H24N2O4/c24-21(17-7-4-8-18-20(17)26-12-11-25-18)23-14-15-9-10-22-19(13-15)27-16-5-2-1-3-6-16/h4,7-10,13,16H,1-3,5-6,11-12,14H2,(H,23,24)
InChIKeyFZGIEKBATMUJHR-UHFFFAOYSA-N
XLogP3.49
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide 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

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55679093
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 52831460) is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc2c1OCCO2.
What is the InChIKey of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is FZGIEKBATMUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-21(17-7-4-8-18-20(17)26-12-11-25-18)23-14-15-9-10-22-19(13-15)27-16-5-2-1-3-6-16/h4,7-10,13,16H,1-3,5-6,11-12,14H2,(H,23,24).
What are the key properties of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 52831460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).