(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone

C12H18N4O — CID 105070123

IUPAC(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2N)CCN1C
InChIInChI=1S/C12H18N4O/c1-9-8-16(6-5-15(9)2)12(17)10-3-4-14-7-11(10)13/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyRUMQFBOELCPSOD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.44
Rot. Bonds1

About (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone

(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 105070123) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID105070123
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2N)CCN1C
InChIInChI=1S/C12H18N4O/c1-9-8-16(6-5-15(9)2)12(17)10-3-4-14-7-11(10)13/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyRUMQFBOELCPSOD-UHFFFAOYSA-N
XLogP0.44
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 105070126
(2-amino-4-bromophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 79722595
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
(2-amino-5-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55217325
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 105071443

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 105070123) is (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccncc2N)CCN1C.
What is the InChIKey of (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is RUMQFBOELCPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-8-16(6-5-15(9)2)12(17)10-3-4-14-7-11(10)13/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone?
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 105070123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).