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

C22H21N3O3 — CID 109162603

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cn2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-21-8-5-16(13-23-21)22(26)24-17-6-7-19-20(12-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWFQKHAZSGCQSTI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.47
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109162603) 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)-6-(2,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109162603
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cn2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-21-8-5-16(13-23-21)22(26)24-17-6-7-19-20(12-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWFQKHAZSGCQSTI-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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109163021
N-(4-chloro-2-methylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163651
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide (CID 109162603) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cn2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is WFQKHAZSGCQSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-21-8-5-16(13-23-21)22(26)24-17-6-7-19-20(12-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-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)-6-(2,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).