3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

C19H25N3O2 — CID 16835762

IUPAC3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1ccc2nc(C)c(NC(=O)CCC3CCCCC3)c(=O)n2c1
InChIInChI=1S/C19H25N3O2/c1-13-8-10-16-20-14(2)18(19(24)22(16)12-13)21-17(23)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,21,23)
InChIKeyWXNQGGREJHNJJR-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.61
Rot. Bonds4

About 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 16835762) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID16835762
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1ccc2nc(C)c(NC(=O)CCC3CCCCC3)c(=O)n2c1
InChIInChI=1S/C19H25N3O2/c1-13-8-10-16-20-14(2)18(19(24)22(16)12-13)21-17(23)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,21,23)
InChIKeyWXNQGGREJHNJJR-UHFFFAOYSA-N
XLogP3.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 16835762) is 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is Cc1ccc2nc(C)c(NC(=O)CCC3CCCCC3)c(=O)n2c1.
What is the InChIKey of 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is WXNQGGREJHNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-8-10-16-20-14(2)18(19(24)22(16)12-13)21-17(23)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,21,23).
What are the key properties of 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 16835762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).