methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate

C12H18N4O2 — CID 115280212

IUPACmethyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NN1CCN(C)CC1
InChIInChI=1S/C12H18N4O2/c1-15-6-8-16(9-7-15)14-11-10(12(17)18-2)4-3-5-13-11/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyCAZWVPZBONPMJD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate

methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate (PubChem CID 115280212) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate
PubChem CID115280212
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NN1CCN(C)CC1
InChIInChI=1S/C12H18N4O2/c1-15-6-8-16(9-7-15)14-11-10(12(17)18-2)4-3-5-13-11/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyCAZWVPZBONPMJD-UHFFFAOYSA-N
XLogP0.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate (CID 115280212) is methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NN1CCN(C)CC1.
What is the InChIKey of methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate?
The InChIKey is CAZWVPZBONPMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-6-8-16(9-7-15)14-11-10(12(17)18-2)4-3-5-13-11/h3-5H,6-9H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate?
methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 115280212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).