N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

C12H18N4O2 — CID 103483582

IUPACN-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCCN(C)C(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H18N4O2/c1-3-15(2)11(17)7-16-8-14-10-6-13-5-4-9(10)12(16)18/h8,13H,3-7H2,1-2H3
InChIKeyHBDINCHVIRTPFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.63
Rot. Bonds3

About N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483582) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483582
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCCN(C)C(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H18N4O2/c1-3-15(2)11(17)7-16-8-14-10-6-13-5-4-9(10)12(16)18/h8,13H,3-7H2,1-2H3
InChIKeyHBDINCHVIRTPFK-UHFFFAOYSA-N
XLogP-0.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride
CID 135741600
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
3-methyl-3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 86775360
3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 136966285
7-[(2S)-2,3,3-trimethylbutanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 164640445
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
5,6,7,8-Tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one
CID 135741601
3-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83895445
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905
7-(4,4,4-trifluorobutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100565
3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146089896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483582) is N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is CCN(C)C(=O)Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is HBDINCHVIRTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-15(2)11(17)7-16-8-14-10-6-13-5-4-9(10)12(16)18/h8,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).