N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C20H17N3O4 — CID 113019421

IUPACN-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C20H17N3O4/c1-25-16-4-2-3-14(10-16)22-19-8-6-15(11-21-19)23-20(24)13-5-7-17-18(9-13)27-12-26-17/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyNPRAJKFGQVNWRD-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.81
Rot. Bonds5

About N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113019421) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113019421
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C20H17N3O4/c1-25-16-4-2-3-14(10-16)22-19-8-6-15(11-21-19)23-20(24)13-5-7-17-18(9-13)27-12-26-17/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyNPRAJKFGQVNWRD-UHFFFAOYSA-N
XLogP3.81
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113019421) is N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is COc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NPRAJKFGQVNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-16-4-2-3-14(10-16)22-19-8-6-15(11-21-19)23-20(24)13-5-7-17-18(9-13)27-12-26-17/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113019421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).