N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide

C25H23N3O2 — CID 18566207

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-17-10-9-15-28-24(17)26-18(2)23(25(28)30)27-22(29)16-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,21H,16H2,1-2H3,(H,27,29)
InChIKeyVAFHYKZLXYNQMO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.47
Rot. Bonds5

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide (PubChem CID 18566207) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide
PubChem CID18566207
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-17-10-9-15-28-24(17)26-18(2)23(25(28)30)27-22(29)16-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,21H,16H2,1-2H3,(H,27,29)
InChIKeyVAFHYKZLXYNQMO-UHFFFAOYSA-N
XLogP4.47
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide (CID 18566207) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide?
The InChIKey is VAFHYKZLXYNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-10-9-15-28-24(17)26-18(2)23(25(28)30)27-22(29)16-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,21H,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide?
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 18566207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).