(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide

C18H20N4O2 — CID 95347813

IUPAC(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17(20-13-14-6-4-10-19-12-14)16-9-5-11-22(16)18(24)21-15-7-2-1-3-8-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyQGMGLQRPBTZUQE-INIZCTEOSA-N
MW324.38 g/mol
LogP2.39
Rot. Bonds4

About (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 95347813) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID95347813
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17(20-13-14-6-4-10-19-12-14)16-9-5-11-22(16)18(24)21-15-7-2-1-3-8-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyQGMGLQRPBTZUQE-INIZCTEOSA-N
XLogP2.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
(2S)-2-N-[(2-methylfuran-3-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95339596
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 75529697
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(2S)-1-N-phenyl-2-N-(2-phenylsulfanylethyl)pyrrolidine-1,2-dicarboxamide
CID 40602013
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 95347813) is (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QGMGLQRPBTZUQE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(20-13-14-6-4-10-19-12-14)16-9-5-11-22(16)18(24)21-15-7-2-1-3-8-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 95347813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).