5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C23H26N4O — CID 131927227

IUPAC5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C
InChIInChI=1S/C23H26N4O/c1-16-13-20(15-24-17(16)2)23(28)25-14-18-9-11-27(12-10-18)22-8-7-19-5-3-4-6-21(19)26-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyQRGIFJOXVLXHEW-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.89
Rot. Bonds4

About 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 131927227) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID131927227
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C
InChIInChI=1S/C23H26N4O/c1-16-13-20(15-24-17(16)2)23(28)25-14-18-9-11-27(12-10-18)22-8-7-19-5-3-4-6-21(19)26-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyQRGIFJOXVLXHEW-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 131927227) is 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is Cc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C.
What is the InChIKey of 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QRGIFJOXVLXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-13-20(15-24-17(16)2)23(28)25-14-18-9-11-27(12-10-18)22-8-7-19-5-3-4-6-21(19)26-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,25,28).
What are the key properties of 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 131927227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).