N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide

C23H23N3O3 — CID 109163021

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H23N3O3/c1-15(2)18-5-3-4-6-19(18)26-22-10-7-16(14-24-22)23(27)25-17-8-9-20-21(13-17)29-12-11-28-20/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWWLWKJUVSRSIPE-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.97
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109163021) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109163021
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H23N3O3/c1-15(2)18-5-3-4-6-19(18)26-22-10-7-16(14-24-22)23(27)25-17-8-9-20-21(13-17)29-12-11-28-20/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWWLWKJUVSRSIPE-UHFFFAOYSA-N
XLogP4.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357578
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-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162603
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112865521
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109163021) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is WWLWKJUVSRSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)18-5-3-4-6-19(18)26-22-10-7-16(14-24-22)23(27)25-17-8-9-20-21(13-17)29-12-11-28-20/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.97, 5 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-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).