N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide

C22H21N3O3 — CID 109219984

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21N3O3/c1-14-9-15(2)11-18(10-14)24-17-5-6-23-19(12-17)22(26)25-16-3-4-20-21(13-16)28-8-7-27-20/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZSTPBSKZTCIABY-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.47
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109219984) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
PubChem CID109219984
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21N3O3/c1-14-9-15(2)11-18(10-14)24-17-5-6-23-19(12-17)22(26)25-16-3-4-20-21(13-16)28-8-7-27-20/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZSTPBSKZTCIABY-UHFFFAOYSA-N
XLogP4.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-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

4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219186
N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109220965
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
N-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109221115
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849103
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315158
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202435
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210020

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide (CID 109219984) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide is Cc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is ZSTPBSKZTCIABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-9-15(2)11-18(10-14)24-17-5-6-23-19(12-17)22(26)25-16-3-4-20-21(13-16)28-8-7-27-20/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).