N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide

C18H20N4O4 — CID 136883840

IUPACN-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C18H20N4O4/c1-11(24)19-15(10-23)18(26)22-8-7-13-14(9-22)20-16(21-17(13)25)12-5-3-2-4-6-12/h2-6,15,23H,7-10H2,1H3,(H,19,24)(H,20,21,25)/t15-/m0/s1
InChIKeyRUGOINIOFXFPOL-HNNXBMFYSA-N
MW356.38 g/mol
LogP-0.18
Rot. Bonds4

About N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide

N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide (PubChem CID 136883840) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide
PubChem CID136883840
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C18H20N4O4/c1-11(24)19-15(10-23)18(26)22-8-7-13-14(9-22)20-16(21-17(13)25)12-5-3-2-4-6-12/h2-6,15,23H,7-10H2,1H3,(H,19,24)(H,20,21,25)/t15-/m0/s1
InChIKeyRUGOINIOFXFPOL-HNNXBMFYSA-N
XLogP-0.18
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2R)-2-imidazol-1-ylpropanoyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136706442
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
7-[(2R)-5-oxopyrrolidine-2-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990837
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
7-(2-chloroethyl)-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866067
N-[4-[(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)sulfonyl]phenyl]propanamide
CID 136507755
2-amino-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990874
7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136858434
7-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 142943097
methyl (2S)-2-[[2-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]amino]-3-methylbutanoate
CID 136872862
7-(2-phenylpropanoyl)-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167046
2-(4-oxo-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
CID 135990735

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide (CID 136883840) is N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide is CC(=O)N[C@@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide?
The InChIKey is RUGOINIOFXFPOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11(24)19-15(10-23)18(26)22-8-7-13-14(9-22)20-16(21-17(13)25)12-5-3-2-4-6-12/h2-6,15,23H,7-10H2,1H3,(H,19,24)(H,20,21,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide?
N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide has a molecular weight of 356.38 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide is sourced from PubChem (CID 136883840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).