N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide

C22H23N3O6 — CID 175278542

IUPACN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide
SMILESO=C(CCc1cccc2ccccc12)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O6/c26-12-18-17(27)10-20(31-18)25-11-16(21(29)24-22(25)30)23-19(28)9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11,17-18,20,26-27H,8-10,12H2,(H,23,28)(H,24,29,30)/t17-,18+,20+/m0/s1
InChIKeyPOZIMHVVUIAUGT-NLWGTHIKSA-N
MW425.44 g/mol
LogP0.90
Rot. Bonds6

About N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide

N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide (PubChem CID 175278542) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide
PubChem CID175278542
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide
SMILESO=C(CCc1cccc2ccccc12)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O6/c26-12-18-17(27)10-20(31-18)25-11-16(21(29)24-22(25)30)23-19(28)9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11,17-18,20,26-27H,8-10,12H2,(H,23,28)(H,24,29,30)/t17-,18+,20+/m0/s1
InChIKeyPOZIMHVVUIAUGT-NLWGTHIKSA-N
XLogP0.90
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
CID 54370573
5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyren-2-ylpyrimidine-2,4-dione
CID 89241147
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]benzo[de]isoquinoline-1,3-dione
CID 91144348
aminophosphonous acid;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
CID 67742866
5-(9,10-dioxoanthracen-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 25228276
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
5-(4-fluorophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11151381
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione
CID 23762509
methyl 2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 70567340

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide?
The IUPAC name of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide (CID 175278542) is N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide?
The canonical SMILES for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide is O=C(CCc1cccc2ccccc12)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide?
The InChIKey is POZIMHVVUIAUGT-NLWGTHIKSA-N. The full InChI is InChI=1S/C22H23N3O6/c26-12-18-17(27)10-20(31-18)25-11-16(21(29)24-22(25)30)23-19(28)9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11,17-18,20,26-27H,8-10,12H2,(H,23,28)(H,24,29,30)/t17-,18+,20+/m0/s1.
What are the key properties of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide?
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide has a molecular weight of 425.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 175278542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).