1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C15H22N4O2 — CID 61106837

IUPAC1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1ncc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H22N4O2/c1-10(2)14(20)18-4-6-19(7-5-18)15(21)13-8-12(16)9-17-11(13)3/h8-10H,4-7,16H2,1-3H3
InChIKeyIYNWXKFLFXHISL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.91
Rot. Bonds2

About 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 61106837) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID61106837
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1ncc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H22N4O2/c1-10(2)14(20)18-4-6-19(7-5-18)15(21)13-8-12(16)9-17-11(13)3/h8-10H,4-7,16H2,1-3H3
InChIKeyIYNWXKFLFXHISL-UHFFFAOYSA-N
XLogP0.91
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(5-amino-2-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835086
(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 54917350
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
CID 64682126
(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403445
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
2-methyl-1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806268
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
(5-amino-2-methyl-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61218384
1-(5-amino-2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 54916812
1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 154847922

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 61106837) is 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is Cc1ncc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is IYNWXKFLFXHISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)14(20)18-4-6-19(7-5-18)15(21)13-8-12(16)9-17-11(13)3/h8-10H,4-7,16H2,1-3H3.
What are the key properties of 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 290.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 61106837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).