2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide

C17H27N5O3 — CID 59959661

IUPAC2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C17H27N5O3/c1-6-12(20-16(25)17(3,4)18)15(24)22-8-7-13-11(9-22)14(23)21(5)10(2)19-13/h12H,6-9,18H2,1-5H3,(H,20,25)/t12-/m1/s1
InChIKeyLZJINTKEHUBGIR-GFCCVEGCSA-N
MW349.44 g/mol
LogP-0.39
Rot. Bonds4

About 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 59959661) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID59959661
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C17H27N5O3/c1-6-12(20-16(25)17(3,4)18)15(24)22-8-7-13-11(9-22)14(23)21(5)10(2)19-13/h12H,6-9,18H2,1-5H3,(H,20,25)/t12-/m1/s1
InChIKeyLZJINTKEHUBGIR-GFCCVEGCSA-N
XLogP-0.39
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(2-ethyl-2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4(3H)-one
CID 136052445
N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136761480
6-Acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796284
N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136850992
3-Tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83890208
2-Methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 142062297
2-ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;methane
CID 158753870
2-ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;methane
CID 159134776
2-ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 160012890
2,3-Diethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 172272654
7-(2,5-dihydro-1H-pyrrol-2-ylcarbonyl)-2,3-dimethyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50964401
3-(2-Aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one
CID 82168040

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide (CID 59959661) is 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide is CC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCc2nc(C)n(C)c(=O)c2C1.
What is the InChIKey of 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is LZJINTKEHUBGIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-6-12(20-16(25)17(3,4)18)15(24)22-8-7-13-11(9-22)14(23)21(5)10(2)19-13/h12H,6-9,18H2,1-5H3,(H,20,25)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 349.44 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).