2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide

C12H19N5O — CID 80506496

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)ccn2)C(CN)C1
InChIInChI=1S/C12H19N5O/c1-16-4-5-17(10(7-13)8-16)11-6-9(12(14)18)2-3-15-11/h2-3,6,10H,4-5,7-8,13H2,1H3,(H2,14,18)
InChIKeyKIBYVICXJYMMNQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.74
Rot. Bonds3

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 80506496) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID80506496
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)ccn2)C(CN)C1
InChIInChI=1S/C12H19N5O/c1-16-4-5-17(10(7-13)8-16)11-6-9(12(14)18)2-3-15-11/h2-3,6,10H,4-5,7-8,13H2,1H3,(H2,14,18)
InChIKeyKIBYVICXJYMMNQ-UHFFFAOYSA-N
XLogP-0.74
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide (CID 80506496) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide is CN1CCN(c2cc(C(N)=O)ccn2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is KIBYVICXJYMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-4-5-17(10(7-13)8-16)11-6-9(12(14)18)2-3-15-11/h2-3,6,10H,4-5,7-8,13H2,1H3,(H2,14,18).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 80506496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).