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

C22H21N3O3 — CID 109198075

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)nc2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)19(11-14)24-17-5-7-18(23-13-17)22(26)25-16-6-8-20-21(12-16)28-10-9-27-20/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,26)
InChIKeyIPOFCQXOMOHQQT-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.47
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109198075) 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)-5-(2,5-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
PubChem CID109198075
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)nc2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)19(11-14)24-17-5-7-18(23-13-17)22(26)25-16-6-8-20-21(12-16)28-10-9-27-20/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,26)
InChIKeyIPOFCQXOMOHQQT-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)-5-(2,5-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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162603
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338
N-cyclopropyl-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109179930
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide (CID 109198075) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide is Cc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)nc2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is IPOFCQXOMOHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-3-4-15(2)19(11-14)24-17-5-7-18(23-13-17)22(26)25-16-6-8-20-21(12-16)28-10-9-27-20/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-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)-5-(2,5-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).