5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C21H19N3O4 — CID 109245401

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H19N3O4/c1-2-26-18-6-4-3-5-17(18)24-21(25)14-9-16(12-22-11-14)23-15-7-8-19-20(10-15)28-13-27-19/h3-12,23H,2,13H2,1H3,(H,24,25)
InChIKeyANNIEWYNHQJEJE-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.20
Rot. Bonds6

About 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109245401) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109245401
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H19N3O4/c1-2-26-18-6-4-3-5-17(18)24-21(25)14-9-16(12-22-11-14)23-15-7-8-19-20(10-15)28-13-27-19/h3-12,23H,2,13H2,1H3,(H,24,25)
InChIKeyANNIEWYNHQJEJE-UHFFFAOYSA-N
XLogP4.20
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
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
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 109245401) is 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ANNIEWYNHQJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-26-18-6-4-3-5-17(18)24-21(25)14-9-16(12-22-11-14)23-15-7-8-19-20(10-15)28-13-27-19/h3-12,23H,2,13H2,1H3,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).