N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C20H21N3O4 — CID 156601451

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)NCC2COc3ccccc3O2)C=C1
InChIInChI=1S/C20H21N3O4/c1-13-7-8-17-22-18(24)9-20(2,23(17)11-13)19(25)21-10-14-12-26-15-5-3-4-6-16(15)27-14/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,25)
InChIKeyHXQUZEJROFNIJX-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.81
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 156601451) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID156601451
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)NCC2COc3ccccc3O2)C=C1
InChIInChI=1S/C20H21N3O4/c1-13-7-8-17-22-18(24)9-20(2,23(17)11-13)19(25)21-10-14-12-26-15-5-3-4-6-16(15)27-14/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,25)
InChIKeyHXQUZEJROFNIJX-UHFFFAOYSA-N
XLogP1.81
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 156601451) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CN2C(=NC(=O)CC2(C)C(=O)NCC2COc3ccccc3O2)C=C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is HXQUZEJROFNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-7-8-17-22-18(24)9-20(2,23(17)11-13)19(25)21-10-14-12-26-15-5-3-4-6-16(15)27-14/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 156601451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).