N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide

C19H23N3O3 — CID 109157472

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H23N3O3/c1-13(2)7-8-20-18-6-4-15(11-21-18)19(23)22-10-14-3-5-16-17(9-14)25-12-24-16/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQMMXCVHQMUBTJO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109157472) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109157472
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H23N3O3/c1-13(2)7-8-20-18-6-4-15(11-21-18)19(23)22-10-14-3-5-16-17(9-14)25-12-24-16/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQMMXCVHQMUBTJO-UHFFFAOYSA-N
XLogP3.20
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109171367
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109157463
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156766
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109157502
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256217
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109157521
N-(1,3-benzodioxol-5-ylmethyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109258193

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide (CID 109157472) is N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide is CC(C)CCNc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is QMMXCVHQMUBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)7-8-20-18-6-4-15(11-21-18)19(23)22-10-14-3-5-16-17(9-14)25-12-24-16/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).