ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

C19H22N4O7 — CID 4132448

IUPACethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(O)CN1C(=O)c1ncccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H22N4O7/c1-4-29-18(26)12-8-11(24)10-23(12)17(25)16-13(6-5-7-20-16)30-19-21-14(27-2)9-15(22-19)28-3/h5-7,9,11-12,24H,4,8,10H2,1-3H3
InChIKeyDVSMKDIPHXPWNE-UHFFFAOYSA-N
MW418.41 g/mol
LogP0.82
Rot. Bonds7

About ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 4132448) has the molecular formula C19H22N4O7 and a molecular weight of 418.41 g/mol. Its IUPAC name is ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID4132448
Molecular FormulaC19H22N4O7
Molecular Weight418.41 g/mol
Exact Mass418.15
IUPAC Nameethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(O)CN1C(=O)c1ncccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H22N4O7/c1-4-29-18(26)12-8-11(24)10-23(12)17(25)16-13(6-5-7-20-16)30-19-21-14(27-2)9-15(22-19)28-3/h5-7,9,11-12,24H,4,8,10H2,1-3H3
InChIKeyDVSMKDIPHXPWNE-UHFFFAOYSA-N
XLogP0.82
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate with MolForge

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Related Compounds

ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-chloroethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425856
1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104742427
ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 110191700
(nonan-5-ylideneamino) 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14648785
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048
methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 20788857
ethyl 1-[2-(2,4-dimethylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 21469647
methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
CID 20788766
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate (CID 4132448) is ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate is CCOC(=O)C1CC(O)CN1C(=O)c1ncccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is DVSMKDIPHXPWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7/c1-4-29-18(26)12-8-11(24)10-23(12)17(25)16-13(6-5-7-20-16)30-19-21-14(27-2)9-15(22-19)28-3/h5-7,9,11-12,24H,4,8,10H2,1-3H3.
What are the key properties of ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate?
ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 418.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 4132448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).