6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C22H24N2O3 — CID 131903028

IUPAC6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2cccnc2)C2CCCc3ccccc32)OCCO1
InChIInChI=1S/C22H24N2O3/c1-16-21(27-13-12-26-16)22(25)24(15-17-6-5-11-23-14-17)20-10-4-8-18-7-2-3-9-19(18)20/h2-3,5-7,9,11,14,20H,4,8,10,12-13,15H2,1H3
InChIKeyVXUGXJONAXETKQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.77
Rot. Bonds4

About 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131903028) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131903028
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2cccnc2)C2CCCc3ccccc32)OCCO1
InChIInChI=1S/C22H24N2O3/c1-16-21(27-13-12-26-16)22(25)24(15-17-6-5-11-23-14-17)20-10-4-8-18-7-2-3-9-19(18)20/h2-3,5-7,9,11,14,20H,4,8,10,12-13,15H2,1H3
InChIKeyVXUGXJONAXETKQ-UHFFFAOYSA-N
XLogP3.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 74231372
1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 131933819
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131890504
N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
CID 169111215
3-fluoro-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42697034
3-[[3-(4-methylphenoxy)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 70133808
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
2-piperidin-4-yl-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 77089721
2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 150838311
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131903028) is 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)N(Cc2cccnc2)C2CCCc3ccccc32)OCCO1.
What is the InChIKey of 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VXUGXJONAXETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-21(27-13-12-26-16)22(25)24(15-17-6-5-11-23-14-17)20-10-4-8-18-7-2-3-9-19(18)20/h2-3,5-7,9,11,14,20H,4,8,10,12-13,15H2,1H3.
What are the key properties of 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).