(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone

C12H18N4O — CID 141132994

IUPAC(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)nc2)CC(C)N1
InChIInChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)12(17)10-3-4-11(13)14-5-10/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,14)
InChIKeyQBTXDZZHEQUZOH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds1

About (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone

(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 141132994) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID141132994
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)nc2)CC(C)N1
InChIInChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)12(17)10-3-4-11(13)14-5-10/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,14)
InChIKeyQBTXDZZHEQUZOH-UHFFFAOYSA-N
XLogP0.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 143465750
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone (CID 141132994) is (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(N)nc2)CC(C)N1.
What is the InChIKey of (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is QBTXDZZHEQUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)12(17)10-3-4-11(13)14-5-10/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone?
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 141132994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).