5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide

C19H20N4O2 — CID 71508255

IUPAC5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide
SMILESC[C@H]1[C@@](CCN1C2=CC=C(C=C2)C#N)(C3=CN=C(C=C3)C(=O)NC)O
InChIInChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1
InChIKeyWLYBSAPGUZCDGP-DJJJIMSYSA-N
MW336.40 g/mol
LogP1.50
Rot. Bonds3

About 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide

5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 71508255) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID71508255
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide
SMILESC[C@H]1[C@@](CCN1C2=CC=C(C=C2)C#N)(C3=CN=C(C=C3)C(=O)NC)O
InChIInChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1
InChIKeyWLYBSAPGUZCDGP-DJJJIMSYSA-N
XLogP1.50
TPSA89.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity537

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide (CID 71508255) is 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide is C[C@H]1[C@@](CCN1C2=CC=C(C=C2)C#N)(C3=CN=C(C=C3)C(=O)NC)O.
What is the InChIKey of 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is WLYBSAPGUZCDGP-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1.
What are the key properties of 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide?
5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71508255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).