1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

C22H25ClN6O4 — CID 10217341

IUPAC1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3CCCCC3=O)cn2)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H25ClN6O4/c1-33-16-10-17(29(13-16)22(32)27-19-7-5-14(23)11-24-19)21(31)26-18-8-6-15(12-25-18)28-9-3-2-4-20(28)30/h5-8,11-12,16-17H,2-4,9-10,13H2,1H3,(H,24,27,32)(H,25,26,31)
InChIKeySGWKNQHQMRUMJO-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.91
Rot. Bonds5

About 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 10217341) has the molecular formula C22H25ClN6O4 and a molecular weight of 472.93 g/mol. Its IUPAC name is 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
PubChem CID10217341
Molecular FormulaC22H25ClN6O4
Molecular Weight472.93 g/mol
Exact Mass472.16
IUPAC Name1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3CCCCC3=O)cn2)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H25ClN6O4/c1-33-16-10-17(29(13-16)22(32)27-19-7-5-14(23)11-24-19)21(31)26-18-8-6-15(12-25-18)28-9-3-2-4-20(28)30/h5-8,11-12,16-17H,2-4,9-10,13H2,1H3,(H,24,27,32)(H,25,26,31)
InChIKeySGWKNQHQMRUMJO-UHFFFAOYSA-N
XLogP2.91
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

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-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68805264
(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-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
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)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 143578123
(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-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 58619659
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-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 87582595

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (CID 10217341) is 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is COC1CC(C(=O)Nc2ccc(N3CCCCC3=O)cn2)N(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is SGWKNQHQMRUMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O4/c1-33-16-10-17(29(13-16)22(32)27-19-7-5-14(23)11-24-19)21(31)26-18-8-6-15(12-25-18)28-9-3-2-4-20(28)30/h5-8,11-12,16-17H,2-4,9-10,13H2,1H3,(H,24,27,32)(H,25,26,31).
What are the key properties of 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 472.93 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10217341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).