(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone

C11H16N4O — CID 62156557

IUPAC(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccnc2N)CC1
InChIInChI=1S/C11H16N4O/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12/h2-4H,5-8H2,1H3,(H2,12,13)
InChIKeyIJNXACCAIRGJCJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.05
Rot. Bonds1

About (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone

(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 62156557) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID62156557
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccnc2N)CC1
InChIInChI=1S/C11H16N4O/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12/h2-4H,5-8H2,1H3,(H2,12,13)
InChIKeyIJNXACCAIRGJCJ-UHFFFAOYSA-N
XLogP0.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63162097
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 171527020
(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681656
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
4-(2-aminopyridine-3-carbonyl)piperazine-2,6-dione
CID 66061658
(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 124946415
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone (CID 62156557) is (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccnc2N)CC1.
What is the InChIKey of (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IJNXACCAIRGJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12/h2-4H,5-8H2,1H3,(H2,12,13).
What are the key properties of (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62156557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).