6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide

C21H22N6O2 — CID 56745926

IUPAC6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H22N6O2/c28-19-7-6-17(15-24-19)21(29)25-14-16-4-3-9-23-20(16)27-12-10-26(11-13-27)18-5-1-2-8-22-18/h1-9,15H,10-14H2,(H,24,28)(H,25,29)
InChIKeyMTARMWPSWRDBNN-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.42
Rot. Bonds5

About 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 56745926) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID56745926
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H22N6O2/c28-19-7-6-17(15-24-19)21(29)25-14-16-4-3-9-23-20(16)27-12-10-26(11-13-27)18-5-1-2-8-22-18/h1-9,15H,10-14H2,(H,24,28)(H,25,29)
InChIKeyMTARMWPSWRDBNN-UHFFFAOYSA-N
XLogP1.42
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-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

Related Compounds

(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 56746760
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881703
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56741346
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide (CID 56745926) is 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is MTARMWPSWRDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-19-7-6-17(15-24-19)21(29)25-14-16-4-3-9-23-20(16)27-12-10-26(11-13-27)18-5-1-2-8-22-18/h1-9,15H,10-14H2,(H,24,28)(H,25,29).
What are the key properties of 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56745926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).