N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide

C20H17N3O4 — CID 109245269

IUPACN-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C20H17N3O4/c1-25-17-4-2-3-14(8-17)22-16-7-13(10-21-11-16)20(24)23-15-5-6-18-19(9-15)27-12-26-18/h2-11,22H,12H2,1H3,(H,23,24)
InChIKeyXUASJUYBAGOGJU-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.81
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109245269) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID109245269
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C20H17N3O4/c1-25-17-4-2-3-14(8-17)22-16-7-13(10-21-11-16)20(24)23-15-5-6-18-19(9-15)27-12-26-18/h2-11,22H,12H2,1H3,(H,23,24)
InChIKeyXUASJUYBAGOGJU-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-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109245515
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide (CID 109245269) is N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is XUASJUYBAGOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-17-4-2-3-14(8-17)22-16-7-13(10-21-11-16)20(24)23-15-5-6-18-19(9-15)27-12-26-18/h2-11,22H,12H2,1H3,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-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-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).