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

C18H25N3O2 — CID 16835764

IUPACN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C18H25N3O2/c1-5-7-14(8-6-2)17(22)20-16-13(4)19-15-10-9-12(3)11-21(15)18(16)23/h9-11,14H,5-8H2,1-4H3,(H,20,22)
InChIKeyNUKDUWAQPYUAKP-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.47
Rot. Bonds6

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

N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide (PubChem CID 16835764) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
PubChem CID16835764
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C18H25N3O2/c1-5-7-14(8-6-2)17(22)20-16-13(4)19-15-10-9-12(3)11-21(15)18(16)23/h9-11,14H,5-8H2,1-4H3,(H,20,22)
InChIKeyNUKDUWAQPYUAKP-UHFFFAOYSA-N
XLogP3.47
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide (CID 16835764) is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide.
What is the SMILES notation for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The canonical SMILES for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1c(C)nc2ccc(C)cn2c1=O.
What is the InChIKey of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The InChIKey is NUKDUWAQPYUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-7-14(8-6-2)17(22)20-16-13(4)19-15-10-9-12(3)11-21(15)18(16)23/h9-11,14H,5-8H2,1-4H3,(H,20,22).
What are the key properties of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide has a molecular weight of 315.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide is sourced from PubChem (CID 16835764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).