6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide

C23H23N3O3 — CID 109163145

IUPAC6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C23H23N3O3/c1-23(2,3)17-6-4-5-7-18(17)26-22(27)15-8-11-21(24-13-15)25-16-9-10-19-20(12-16)29-14-28-19/h4-13H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyOBGFRZIQAPSZLR-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.10
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide

6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 109163145) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID109163145
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C23H23N3O3/c1-23(2,3)17-6-4-5-7-18(17)26-22(27)15-8-11-21(24-13-15)25-16-9-10-19-20(12-16)29-14-28-19/h4-13H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyOBGFRZIQAPSZLR-UHFFFAOYSA-N
XLogP5.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109268216
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-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109163142
N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109163149
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-(4-chloro-2-methylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163651
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
CID 166597114
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109163021
6-(2-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163139

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide (CID 109163145) is 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is OBGFRZIQAPSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-23(2,3)17-6-4-5-7-18(17)26-22(27)15-8-11-21(24-13-15)25-16-9-10-19-20(12-16)29-14-28-19/h4-13H,14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).