(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

C13H20N4O — CID 81236941

IUPAC(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(C)cc2N)CC1
InChIInChI=1S/C13H20N4O/c1-3-16-4-6-17(7-5-16)13(18)11-9-15-10(2)8-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyODMQWNVEMQLQJF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds2

About (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 81236941) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID81236941
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(C)cc2N)CC1
InChIInChI=1S/C13H20N4O/c1-3-16-4-6-17(7-5-16)13(18)11-9-15-10(2)8-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyODMQWNVEMQLQJF-UHFFFAOYSA-N
XLogP0.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-6-methyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81243379
(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 81246007
(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 81235790
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
(2-amino-4-methylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 166594141
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (CID 81236941) is (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(C)cc2N)CC1.
What is the InChIKey of (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ODMQWNVEMQLQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-16-4-6-17(7-5-16)13(18)11-9-15-10(2)8-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 81236941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).