6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide

C21H24N4O2 — CID 126805675

IUPAC6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccc2c1CCCN2)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C21H24N4O2/c26-20(23-14-15-6-3-8-17-16(15)7-5-11-22-17)18-9-4-10-19(24-18)21(27)25-12-1-2-13-25/h3-4,6,8-10,22H,1-2,5,7,11-14H2,(H,23,26)
InChIKeyXLXHAWHPXFNQOA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.61
Rot. Bonds4

About 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide

6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 126805675) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
PubChem CID126805675
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccc2c1CCCN2)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C21H24N4O2/c26-20(23-14-15-6-3-8-17-16(15)7-5-11-22-17)18-9-4-10-19(24-18)21(27)25-12-1-2-13-25/h3-4,6,8-10,22H,1-2,5,7,11-14H2,(H,23,26)
InChIKeyXLXHAWHPXFNQOA-UHFFFAOYSA-N
XLogP2.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786
N-[(2-methylphenyl)methyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095422
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 126800576
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
CID 154742725
N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096898
N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide (CID 126805675) is 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccc2c1CCCN2)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XLXHAWHPXFNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(23-14-15-6-3-8-17-16(15)7-5-11-22-17)18-9-4-10-19(24-18)21(27)25-12-1-2-13-25/h3-4,6,8-10,22H,1-2,5,7,11-14H2,(H,23,26).
What are the key properties of 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide?
6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126805675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).