N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

C18H20N2O4 — CID 51100025

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H20N2O4/c1-11-8-19-14(12(2)17(11)22-4)9-20(3)18(21)13-5-6-15-16(7-13)24-10-23-15/h5-8H,9-10H2,1-4H3
InChIKeyKVRHGTINBQYWAE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.71
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 51100025) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID51100025
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H20N2O4/c1-11-8-19-14(12(2)17(11)22-4)9-20(3)18(21)13-5-6-15-16(7-13)24-10-23-15/h5-8H,9-10H2,1-4H3
InChIKeyKVRHGTINBQYWAE-UHFFFAOYSA-N
XLogP2.71
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
4-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylcarbamoyl]phenoxy]benzamide
CID 56548346
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
CID 71882269
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 53184935
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 71881925
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CID 51100025) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide is COc1c(C)cnc(CN(C)C(=O)c2ccc3c(c2)OCO3)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is KVRHGTINBQYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-19-14(12(2)17(11)22-4)9-20(3)18(21)13-5-6-15-16(7-13)24-10-23-15/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51100025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).