methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate

C12H16N4O3 — CID 114090414

IUPACmethyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCN(C)C(=O)C2)ncc1N
InChIInChI=1S/C12H16N4O3/c1-15-3-4-16(7-11(15)17)10-5-8(12(18)19-2)9(13)6-14-10/h5-6H,3-4,7,13H2,1-2H3
InChIKeyWACZFDUDBCUZPF-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.27
Rot. Bonds2

About methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate

methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate (PubChem CID 114090414) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
PubChem CID114090414
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCN(C)C(=O)C2)ncc1N
InChIInChI=1S/C12H16N4O3/c1-15-3-4-16(7-11(15)17)10-5-8(12(18)19-2)9(13)6-14-10/h5-6H,3-4,7,13H2,1-2H3
InChIKeyWACZFDUDBCUZPF-UHFFFAOYSA-N
XLogP-0.27
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate with MolForge

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Related Compounds

Nevirapin 4-substituted deriv. 4b
CID 464522
Nevirapin 4-substituted deriv. 4a
CID 464735
2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-piperidin-1-yl)-benzoic acid methyl ester
CID 11293092
Methyl 5-acetamido-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156213
[1-(4-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487409
[1-(4-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487681
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-4-methylpiperidin-1-yl]benzoate
CID 44392010
Ethyl 6-(4-(phenylcarbamoyl)piperazin-1-yl)nicotinate
CID 54584163
Ethyl 5-amino-6-cyclohexylaminonicotinate
CID 22598045
Methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 127052272
Methyl 5-(butanoylamino)-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 73295858
US11584748, Example 63
CID 146189653

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate (CID 114090414) is methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(N2CCN(C)C(=O)C2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate?
The InChIKey is WACZFDUDBCUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15-3-4-16(7-11(15)17)10-5-8(12(18)19-2)9(13)6-14-10/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate?
methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114090414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).