methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C20H24N2O5 — CID 54198960

IUPACmethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1
InChIInChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1
InChIKeyPNVZGFZSIFACCJ-ZZHQXOFYSA-N
MW372.42 g/mol
LogP2.28
Rot. Bonds3

About methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 54198960) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID54198960
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1
InChIInChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1
InChIKeyPNVZGFZSIFACCJ-ZZHQXOFYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18005332
methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163383041
tert-butyl 4-[4-[(1R,2R,3R)-2-methoxycarbonyl-3-phenylcyclopropyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 86721155
methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139687528
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
[2-[4-[4-[(2R)-2-acetamido-3-methyl-5-oxo-2H-furan-4-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-(dimethylamino)-2-oxoethyl] acetate
CID 54121222
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
tert-butyl 4-[4-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58618702
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
CID 38298822
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176913239

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 54198960) is methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1.
What is the InChIKey of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PNVZGFZSIFACCJ-ZZHQXOFYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1.
What are the key properties of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 54198960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).