N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide

C21H17N3O4 — CID 109164518

IUPACN-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1
InChIInChI=1S/C21H17N3O4/c1-13(25)14-2-5-16(6-3-14)24-21(26)15-4-9-20(22-11-15)23-17-7-8-18-19(10-17)28-12-27-18/h2-11H,12H2,1H3,(H,22,23)(H,24,26)
InChIKeyILJYEHMCWLTNFW-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.01
Rot. Bonds5

About N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide

N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide (PubChem CID 109164518) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
PubChem CID109164518
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1
InChIInChI=1S/C21H17N3O4/c1-13(25)14-2-5-16(6-3-14)24-21(26)15-4-9-20(22-11-15)23-17-7-8-18-19(10-17)28-12-27-18/h2-11H,12H2,1H3,(H,22,23)(H,24,26)
InChIKeyILJYEHMCWLTNFW-UHFFFAOYSA-N
XLogP4.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109163145
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
6-(4-acetylanilino)-N-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxamide
CID 109359392
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide (CID 109164518) is N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCO4)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide?
The InChIKey is ILJYEHMCWLTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13(25)14-2-5-16(6-3-14)24-21(26)15-4-9-20(22-11-15)23-17-7-8-18-19(10-17)28-12-27-18/h2-11H,12H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109164518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).