N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide

C18H20N4O4 — CID 112522065

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C18H20N4O4/c1-22(2)18(24)21-10-14-8-13(5-6-19-14)17(23)20-9-12-3-4-15-16(7-12)26-11-25-15/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYQWNSHAMJRLFPX-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.51
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide (PubChem CID 112522065) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
PubChem CID112522065
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C18H20N4O4/c1-22(2)18(24)21-10-14-8-13(5-6-19-14)17(23)20-9-12-3-4-15-16(7-12)26-11-25-15/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYQWNSHAMJRLFPX-UHFFFAOYSA-N
XLogP1.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 112522300
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-[[2-[(2-methylbutanoylamino)methyl]-4-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 157016298
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109171410
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171426
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109171367
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086973
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide (CID 112522065) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The InChIKey is YQWNSHAMJRLFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-22(2)18(24)21-10-14-8-13(5-6-19-14)17(23)20-9-12-3-4-15-16(7-12)26-11-25-15/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 112522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).