(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide

C23H26ClN5O3 — CID 58619659

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCCCC3=O)nc2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN5O3/c1-15-12-19(29(14-15)23(32)27-17-7-5-16(24)6-8-17)22(31)26-18-9-10-20(25-13-18)28-11-3-2-4-21(28)30/h5-10,13,15,19H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,32)/t15-,19-/m1/s1
InChIKeyAUZMRBDZJREBSD-DNVCBOLYSA-N
MW455.95 g/mol
LogP4.13
Rot. Bonds4

About (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 58619659) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide
PubChem CID58619659
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCCCC3=O)nc2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN5O3/c1-15-12-19(29(14-15)23(32)27-17-7-5-16(24)6-8-17)22(31)26-18-9-10-20(25-13-18)28-11-3-2-4-21(28)30/h5-10,13,15,19H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,32)/t15-,19-/m1/s1
InChIKeyAUZMRBDZJREBSD-DNVCBOLYSA-N
XLogP4.13
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide (CID 58619659) is (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide is C[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCCCC3=O)nc2)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is AUZMRBDZJREBSD-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-15-12-19(29(14-15)23(32)27-17-7-5-16(24)6-8-17)22(31)26-18-9-10-20(25-13-18)28-11-3-2-4-21(28)30/h5-10,13,15,19H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,32)/t15-,19-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 455.95 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-4-methyl-2-N-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 58619659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).