N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide

C22H19N3O4 — CID 109212473

IUPACN-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCc3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C22H19N3O4/c1-14(26)16-3-5-17(6-4-16)25-22(27)19-11-18(8-9-23-19)24-12-15-2-7-20-21(10-15)29-13-28-20/h2-11H,12-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyAGUMHIJLBXOGMC-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.88
Rot. Bonds6

About N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide

N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109212473) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
PubChem CID109212473
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCc3ccc4c(c3)OCO4)ccn2)cc1
InChIInChI=1S/C22H19N3O4/c1-14(26)16-3-5-17(6-4-16)25-22(27)19-11-18(8-9-23-19)24-12-15-2-7-20-21(10-15)29-13-28-20/h2-11H,12-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyAGUMHIJLBXOGMC-UHFFFAOYSA-N
XLogP3.88
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109212452
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109212480
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212478
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyrimidine-4-carboxamide
CID 109306598
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211596
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide (CID 109212473) is N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(NCc3ccc4c(c3)OCO4)ccn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is AGUMHIJLBXOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14(26)16-3-5-17(6-4-16)25-22(27)19-11-18(8-9-23-19)24-12-15-2-7-20-21(10-15)29-13-28-20/h2-11H,12-13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide?
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109212473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).