4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H24N2O3 — CID 127726775

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CC(NC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1
InChIInChI=1S/C19H24N2O3/c1-13-10-16(11-13)20-19(22)21-6-4-14(5-7-21)15-2-3-17-18(12-15)24-9-8-23-17/h2-4,12-13,16H,5-11H2,1H3,(H,20,22)
InChIKeyNIWGJPLIHRGQMF-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.06
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 127726775) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID127726775
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CC(NC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1
InChIInChI=1S/C19H24N2O3/c1-13-10-16(11-13)20-19(22)21-6-4-14(5-7-21)15-2-3-17-18(12-15)24-9-8-23-17/h2-4,12-13,16H,5-11H2,1H3,(H,20,22)
InChIKeyNIWGJPLIHRGQMF-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 67306630
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154873684
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 18106499
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125075
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759575
4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97159093
7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917408
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120602550
2-[ethyl-[3-[[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025891
4-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67050575
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 2551846
N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 127726775) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1CC(NC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NIWGJPLIHRGQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-10-16(11-13)20-19(22)21-6-4-14(5-7-21)15-2-3-17-18(12-15)24-9-8-23-17/h2-4,12-13,16H,5-11H2,1H3,(H,20,22).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 127726775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).