(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C24H21N3O3 — CID 122283912

IUPAC(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C24H21N3O3/c1-15-9-10-17(19-13-27-11-5-6-16(2)23(27)25-19)12-18(15)26-24(28)22-14-29-20-7-3-4-8-21(20)30-22/h3-13,22H,14H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyHDAWFTCLDXYSHK-QFIPXVFZSA-N
MW399.45 g/mol
LogP4.40
Rot. Bonds3

About (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 122283912) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID122283912
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C24H21N3O3/c1-15-9-10-17(19-13-27-11-5-6-16(2)23(27)25-19)12-18(15)26-24(28)22-14-29-20-7-3-4-8-21(20)30-22/h3-13,22H,14H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyHDAWFTCLDXYSHK-QFIPXVFZSA-N
XLogP4.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-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-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxolane-2-carboxamide
CID 121089968
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47037614
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 53190725
4-methyl-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 122283931
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 122284189
(3S)-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463996
N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122283973
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 121149066
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
(3S)-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1084125
N-(8-methylquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51065829

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 122283912) is (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)[C@@H]1COc2ccccc2O1.
What is the InChIKey of (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HDAWFTCLDXYSHK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-9-10-17(19-13-27-11-5-6-16(2)23(27)25-19)12-18(15)26-24(28)22-14-29-20-7-3-4-8-21(20)30-22/h3-13,22H,14H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 122283912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).