6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C22H21N3O4 — CID 109157207

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C22H21N3O4/c1-27-18-5-3-2-4-15(18)13-24-22(26)16-6-9-21(23-14-16)25-17-7-8-19-20(12-17)29-11-10-28-19/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyWKWFGXDHPPNZNE-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.54
Rot. Bonds6

About 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157207) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157207
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C22H21N3O4/c1-27-18-5-3-2-4-15(18)13-24-22(26)16-6-9-21(23-14-16)25-17-7-8-19-20(12-17)29-11-10-28-19/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyWKWFGXDHPPNZNE-UHFFFAOYSA-N
XLogP3.54
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 1432044
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158733
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157207) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WKWFGXDHPPNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-18-5-3-2-4-15(18)13-24-22(26)16-6-9-21(23-14-16)25-17-7-8-19-20(12-17)29-11-10-28-19/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).