2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide

C21H23N3O2 — CID 166240549

IUPAC2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide
SMILESCC(C)C(Cc1ccccc1)C(=O)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C21H23N3O2/c1-15(2)18(12-16-8-4-3-5-9-16)21(26)22-14-17-13-20(25)24-11-7-6-10-19(24)23-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,22,26)
InChIKeyQNLXNYSLJDPZCJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.83
Rot. Bonds6

About 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide

2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide (PubChem CID 166240549) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide
PubChem CID166240549
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide
SMILESCC(C)C(Cc1ccccc1)C(=O)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C21H23N3O2/c1-15(2)18(12-16-8-4-3-5-9-16)21(26)22-14-17-13-20(25)24-11-7-6-10-19(24)23-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,22,26)
InChIKeyQNLXNYSLJDPZCJ-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide?
The IUPAC name of 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide (CID 166240549) is 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide?
The canonical SMILES for 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide is CC(C)C(Cc1ccccc1)C(=O)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide?
The InChIKey is QNLXNYSLJDPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)18(12-16-8-4-3-5-9-16)21(26)22-14-17-13-20(25)24-11-7-6-10-19(24)23-17/h3-11,13,15,18H,12,14H2,1-2H3,(H,22,26).
What are the key properties of 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide?
2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide is sourced from PubChem (CID 166240549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).