N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

C20H24N4O4 — CID 140608132

IUPACN-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]C[C@@]12O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H]([C@@H]1O)N(C)[C@@H]2C
InChIInChI=1S/C20H24N4O4/c1-11-10-24(18-14-15(25)20(3,28-18)12(2)23(14)4)19(27)22-16(11)21-17(26)13-8-6-5-7-9-13/h5-10,12,14-15,18,25H,1-4H3,(H,21,22,26,27)/t12-,14-,15+,18-,20+/m1/s1/i3D
InChIKeyZLIVAJZGSXPDAY-MAVKHGGJSA-N
MW385.44 g/mol
LogP1.15
Rot. Bonds4

About N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (PubChem CID 140608132) has the molecular formula C20H24N4O4 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
PubChem CID140608132
Molecular FormulaC20H24N4O4
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC NameN-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]C[C@@]12O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H]([C@@H]1O)N(C)[C@@H]2C
InChIInChI=1S/C20H24N4O4/c1-11-10-24(18-14-15(25)20(3,28-18)12(2)23(14)4)19(27)22-16(11)21-17(26)13-8-6-5-7-9-13/h5-10,12,14-15,18,25H,1-4H3,(H,21,22,26,27)/t12-,14-,15+,18-,20+/m1/s1/i3D
InChIKeyZLIVAJZGSXPDAY-MAVKHGGJSA-N
XLogP1.15
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide 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

N-[1-[(1R,3R,4R,5S,7S)-7-hydroxy-1-(hydroxymethyl)-5-methyl-2-oxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 53342627
(1S,3R,4R,7S)-3-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-1-ethyl-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 163429376
N-[1-[(1S,3R,4R,7S)-5-[2-(dimethylamino)pyrimidin-4-yl]-1-ethyl-7-hydroxy-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 163695908
N-[1-[(1R,3R,4S)-1-(deuteriomethyl)-7-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 88935647
N-[1-[6-(deuteriomethyl)-4-fluoro-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 58060700
[2-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-5-methyloxan-4-yl] benzoate;[2-(4-benzamido-2-oxopyrimidin-1-yl)-4,5-dihydroxyoxan-3-yl] benzoate;methane;N-[2-oxo-1-(3,4,5-trihydroxyoxan-2-yl)pyrimidin-4-yl]benzamide
CID 161365836
N-[1-[1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 85419277
N-[1-[(1S,3R,7R)-1-(deuteriomethyl)-7-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 159187248
N-[1-[(3R,4S,5R,6R)-6-(deuteriomethyl)-4-(2-fluoroethoxy)-5-hydroxyoxan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 58062017
N-[1-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 135315756
4-[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 130474583
N-[1-[(1S,3R,4R,7S)-7-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-1-ethyl-5-methylsulfonyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 163658840

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (CID 140608132) is N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is [2H]C[C@@]12O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H]([C@@H]1O)N(C)[C@@H]2C.
What is the InChIKey of N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is ZLIVAJZGSXPDAY-MAVKHGGJSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-11-10-24(18-14-15(25)20(3,28-18)12(2)23(14)4)19(27)22-16(11)21-17(26)13-8-6-5-7-9-13/h5-10,12,14-15,18,25H,1-4H3,(H,21,22,26,27)/t12-,14-,15+,18-,20+/m1/s1/i3D.
What are the key properties of N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?
N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,3R,4R,6R,7S)-1-(deuteriomethyl)-7-hydroxy-5,6-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 140608132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).