4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one

C12H16N4O2 — CID 64682126

IUPAC4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
SMILESCc1ncc(N)cc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C12H16N4O2/c1-8-10(5-9(13)6-14-8)12(18)16-4-3-15(2)11(17)7-16/h5-6H,3-4,7,13H2,1-2H3
InChIKeyFCSVOEBNQILSBY-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.11
Rot. Bonds1

About 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one

4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one (PubChem CID 64682126) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
PubChem CID64682126
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
SMILESCc1ncc(N)cc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C12H16N4O2/c1-8-10(5-9(13)6-14-8)12(18)16-4-3-15(2)11(17)7-16/h5-6H,3-4,7,13H2,1-2H3
InChIKeyFCSVOEBNQILSBY-UHFFFAOYSA-N
XLogP-0.11
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 54917350
1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106837
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 64694556
(5-amino-2-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835086
(5-amino-2-methyl-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61218384
(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403445
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one (CID 64682126) is 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one is Cc1ncc(N)cc1C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is FCSVOEBNQILSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-10(5-9(13)6-14-8)12(18)16-4-3-15(2)11(17)7-16/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one?
4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).