N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide

C17H21N5O — CID 158377462

IUPACN'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide
SMILESCN1CCC(c2ccc(NNC(=O)c3cnccn3)cc2)CC1
InChIInChI=1S/C17H21N5O/c1-22-10-6-14(7-11-22)13-2-4-15(5-3-13)20-21-17(23)16-12-18-8-9-19-16/h2-5,8-9,12,14,20H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyGVJMONBXOYCMMT-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.04
Rot. Bonds4

About N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide

N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide (PubChem CID 158377462) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide
PubChem CID158377462
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide
SMILESCN1CCC(c2ccc(NNC(=O)c3cnccn3)cc2)CC1
InChIInChI=1S/C17H21N5O/c1-22-10-6-14(7-11-22)13-2-4-15(5-3-13)20-21-17(23)16-12-18-8-9-19-16/h2-5,8-9,12,14,20H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyGVJMONBXOYCMMT-UHFFFAOYSA-N
XLogP2.04
TPSA70.15 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-propan-2-ylphenyl)pyrazine-2-carbohydrazide
CID 140930278
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 4065138
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
CID 110742560
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
CID 171471671
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]pyrazine-2-carboxamide
CID 78150731
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide (CID 158377462) is N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide is CN1CCC(c2ccc(NNC(=O)c3cnccn3)cc2)CC1.
What is the InChIKey of N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide?
The InChIKey is GVJMONBXOYCMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-22-10-6-14(7-11-22)13-2-4-15(5-3-13)20-21-17(23)16-12-18-8-9-19-16/h2-5,8-9,12,14,20H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide?
N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide has a molecular weight of 311.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 158377462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).