(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C22H22ClN5O5 — CID 68805264

IUPAC(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H22ClN5O5/c1-33-16-10-17(27(12-16)22(32)26-18-7-2-13(23)11-24-18)21(31)25-14-3-5-15(6-4-14)28-19(29)8-9-20(28)30/h2-7,11,16-17H,8-10,12H2,1H3,(H,25,31)(H,24,26,32)/t16-,17-/m1/s1
InChIKeyOKLHGOYZJULMGD-IAGOWNOFSA-N
MW471.90 g/mol
LogP2.65
Rot. Bonds5

About (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68805264) has the molecular formula C22H22ClN5O5 and a molecular weight of 471.90 g/mol. Its IUPAC name is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68805264
Molecular FormulaC22H22ClN5O5
Molecular Weight471.90 g/mol
Exact Mass471.13
IUPAC Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H22ClN5O5/c1-33-16-10-17(27(12-16)22(32)26-18-7-2-13(23)11-24-18)21(31)25-14-3-5-15(6-4-14)28-19(29)8-9-20(28)30/h2-7,11,16-17H,8-10,12H2,1H3,(H,25,31)(H,24,26,32)/t16-,17-/m1/s1
InChIKeyOKLHGOYZJULMGD-IAGOWNOFSA-N
XLogP2.65
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-1-[4-[[1-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]phenyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 68807033
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 10217341
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 24857779
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026109
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 58619630
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-iodo-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808509
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68806684
1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 143578123
5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 68808249
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10311348
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68805264) is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)N(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is OKLHGOYZJULMGD-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H22ClN5O5/c1-33-16-10-17(27(12-16)22(32)26-18-7-2-13(23)11-24-18)21(31)25-14-3-5-15(6-4-14)28-19(29)8-9-20(28)30/h2-7,11,16-17H,8-10,12H2,1H3,(H,25,31)(H,24,26,32)/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 471.90 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68805264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).