N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide

C15H20N4O2 — CID 78915598

IUPACN-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)18-13(20)10-16-9-11-8-14(21)19-7-5-4-6-12(19)17-11/h4-8,16H,9-10H2,1-3H3,(H,18,20)
InChIKeyNFABWCXBGSVJKL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.70
Rot. Bonds4

About N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide

N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide (PubChem CID 78915598) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
PubChem CID78915598
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)18-13(20)10-16-9-11-8-14(21)19-7-5-4-6-12(19)17-11/h4-8,16H,9-10H2,1-3H3,(H,18,20)
InChIKeyNFABWCXBGSVJKL-UHFFFAOYSA-N
XLogP0.70
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
2-(piperazin-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 43090470
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71449589
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71462106
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
Cambridge id 5974420
CID 2879264
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}pentanamide
CID 7217027
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
2,2,2-trifluoro-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 18566116
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42949473

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide (CID 78915598) is N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide is CC(C)(C)NC(=O)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide?
The InChIKey is NFABWCXBGSVJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)18-13(20)10-16-9-11-8-14(21)19-7-5-4-6-12(19)17-11/h4-8,16H,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide?
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide is sourced from PubChem (CID 78915598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).