2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide

C12H20N4O — CID 70219017

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide
SMILESCN1CCN(C2(C)C=C(C(N)=O)C=CN2)CC1
InChIInChI=1S/C12H20N4O/c1-12(16-7-5-15(2)6-8-16)9-10(11(13)17)3-4-14-12/h3-4,9,14H,5-8H2,1-2H3,(H2,13,17)
InChIKeyWOXXOWHQQUGQSA-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.52
Rot. Bonds2

About 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide

2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide (PubChem CID 70219017) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide
PubChem CID70219017
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide
SMILESCN1CCN(C2(C)C=C(C(N)=O)C=CN2)CC1
InChIInChI=1S/C12H20N4O/c1-12(16-7-5-15(2)6-8-16)9-10(11(13)17)3-4-14-12/h3-4,9,14H,5-8H2,1-2H3,(H2,13,17)
InChIKeyWOXXOWHQQUGQSA-UHFFFAOYSA-N
XLogP-0.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide (CID 70219017) is 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide is CN1CCN(C2(C)C=C(C(N)=O)C=CN2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide?
The InChIKey is WOXXOWHQQUGQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(16-7-5-15(2)6-8-16)9-10(11(13)17)3-4-14-12/h3-4,9,14H,5-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide?
2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 70219017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).