5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C17H21N5O — CID 109283250

IUPAC5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC1CCCN(c2cnc(C(=O)NCc3cccnc3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-13-4-3-7-22(12-13)16-11-19-15(10-20-16)17(23)21-9-14-5-2-6-18-8-14/h2,5-6,8,10-11,13H,3-4,7,9,12H2,1H3,(H,21,23)
InChIKeyMITFULVPSJSXDD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.04
Rot. Bonds4

About 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283250) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283250
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC1CCCN(c2cnc(C(=O)NCc3cccnc3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-13-4-3-7-22(12-13)16-11-19-15(10-20-16)17(23)21-9-14-5-2-6-18-8-14/h2,5-6,8,10-11,13H,3-4,7,9,12H2,1H3,(H,21,23)
InChIKeyMITFULVPSJSXDD-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288815
2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724251
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283260
1-[4-(3-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 133197207
1-[4-(azepan-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 100782373
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 109283250) is 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is CC1CCCN(c2cnc(C(=O)NCc3cccnc3)cn2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is MITFULVPSJSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-4-3-7-22(12-13)16-11-19-15(10-20-16)17(23)21-9-14-5-2-6-18-8-14/h2,5-6,8,10-11,13H,3-4,7,9,12H2,1H3,(H,21,23).
What are the key properties of 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).