N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide

C18H15N3O4 — CID 16799372

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3ccc4c(c3)OCO4)c(C)nc2c1
InChIInChI=1S/C18H15N3O4/c1-10-5-6-21-15(7-10)19-11(2)16(18(21)23)20-17(22)12-3-4-13-14(8-12)25-9-24-13/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyVBVICPZQNCXUDG-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.29
Rot. Bonds2

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 16799372) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID16799372
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3ccc4c(c3)OCO4)c(C)nc2c1
InChIInChI=1S/C18H15N3O4/c1-10-5-6-21-15(7-10)19-11(2)16(18(21)23)20-17(22)12-3-4-13-14(8-12)25-9-24-13/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyVBVICPZQNCXUDG-UHFFFAOYSA-N
XLogP2.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 16799372) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide is Cc1ccn2c(=O)c(NC(=O)c3ccc4c(c3)OCO4)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is VBVICPZQNCXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-10-5-6-21-15(7-10)19-11(2)16(18(21)23)20-17(22)12-3-4-13-14(8-12)25-9-24-13/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16799372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).