5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide

C19H22N4O2 — CID 126773779

IUPAC5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22(2)16-6-4-13(5-7-16)14-10-15(12-20-11-14)18(24)21-17-8-9-23(3)19(17)25/h4-7,10-12,17H,8-9H2,1-3H3,(H,21,24)
InChIKeyJJRIVRNKRFABTB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.78
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide

5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 126773779) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID126773779
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22(2)16-6-4-13(5-7-16)14-10-15(12-20-11-14)18(24)21-17-8-9-23(3)19(17)25/h4-7,10-12,17H,8-9H2,1-3H3,(H,21,24)
InChIKeyJJRIVRNKRFABTB-UHFFFAOYSA-N
XLogP1.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide (CID 126773779) is 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1=O.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is JJRIVRNKRFABTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)16-6-4-13(5-7-16)14-10-15(12-20-11-14)18(24)21-17-8-9-23(3)19(17)25/h4-7,10-12,17H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126773779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).