6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine

C22H23N3O2 — CID 139348557

IUPAC6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine
SMILESCN(C)Cc1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-25(2)15-16-5-3-6-17(13-16)24-18-9-10-20(23-14-18)19-7-4-8-21-22(19)27-12-11-26-21/h3-10,13-14,24H,11-12,15H2,1-2H3
InChIKeySVDKNYAFIOVKES-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.32
Rot. Bonds5

About 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine

6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine (PubChem CID 139348557) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine
PubChem CID139348557
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine
SMILESCN(C)Cc1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-25(2)15-16-5-3-6-17(13-16)24-18-9-10-20(23-14-18)19-7-4-8-21-22(19)27-12-11-26-21/h3-10,13-14,24H,11-12,15H2,1-2H3
InChIKeySVDKNYAFIOVKES-UHFFFAOYSA-N
XLogP4.32
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine 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

6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
WR 242511
CID 133658
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
RAS inhibitor Abd-7
CID 134812710
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
CID 11154398
6-Methoxy-3-methyl-4-phenoxy-8-(piperazin-1-yl)quinoline
CID 59017478
5,6-Dimethoxyquinolin-8-amine
CID 231558
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-3-amine
CID 16749217
WR 225448
CID 456317
3-(3,4-Ethylenedioxybenzylidene)anabaseine
CID 10407338
3-[[6-Methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]propanenitrile
CID 24758393
1-(2-(2-Ethoxyphenyl)-1-(pyridin-3-yl)ethyl)piperazine
CID 44414809

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine (CID 139348557) is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine is CN(C)Cc1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2)c1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine?
The InChIKey is SVDKNYAFIOVKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(2)15-16-5-3-6-17(13-16)24-18-9-10-20(23-14-18)19-7-4-8-21-22(19)27-12-11-26-21/h3-10,13-14,24H,11-12,15H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine?
6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[3-[(dimethylamino)methyl]phenyl]pyridin-3-amine is sourced from PubChem (CID 139348557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).