N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

C20H22N2O4 — CID 74234588

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O4/c23-20(17-5-9-24-10-6-17)22(12-15-3-7-21-8-4-15)13-16-1-2-18-19(11-16)26-14-25-18/h1-4,7-8,11,17H,5-6,9-10,12-14H2
InChIKeyVWVOJFAQUYJNQN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.77
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (PubChem CID 74234588) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
PubChem CID74234588
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O4/c23-20(17-5-9-24-10-6-17)22(12-15-3-7-21-8-4-15)13-16-1-2-18-19(11-16)26-14-25-18/h1-4,7-8,11,17H,5-6,9-10,12-14H2
InChIKeyVWVOJFAQUYJNQN-UHFFFAOYSA-N
XLogP2.77
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
CID 42785999
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
CID 42796235
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
CID 42723822
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 78982492
N-(1,3-benzodioxol-5-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 46990396
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 47000289

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (CID 74234588) is N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is VWVOJFAQUYJNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-20(17-5-9-24-10-6-17)22(12-15-3-7-21-8-4-15)13-16-1-2-18-19(11-16)26-14-25-18/h1-4,7-8,11,17H,5-6,9-10,12-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 74234588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).