(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone

C17H21N5O — CID 109283106

IUPAC(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NCc3ccccn3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-13-5-4-8-22(12-13)17(23)15-10-21-16(11-19-15)20-9-14-6-2-3-7-18-14/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeyJUDQTMXRKWXSKC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.36
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone

(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone (PubChem CID 109283106) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
PubChem CID109283106
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NCc3ccccn3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-13-5-4-8-22(12-13)17(23)15-10-21-16(11-19-15)20-9-14-6-2-3-7-18-14/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeyJUDQTMXRKWXSKC-UHFFFAOYSA-N
XLogP2.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone 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

(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
(4-methylazepan-1-yl)-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 126820564
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone (CID 109283106) is (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone is CC1CCCN(C(=O)c2cnc(NCc3ccccn3)cn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone?
The InChIKey is JUDQTMXRKWXSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-5-4-8-22(12-13)17(23)15-10-21-16(11-19-15)20-9-14-6-2-3-7-18-14/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,20,21).
What are the key properties of (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone?
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109283106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).