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

C13H20N4O — CID 105070126

IUPAC(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccncc2N)CC1C
InChIInChI=1S/C13H20N4O/c1-3-16-6-7-17(9-10(16)2)13(18)11-4-5-15-8-12(11)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3
InChIKeyZNGHYIBASXLDJS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds2

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

(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 105070126) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID105070126
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccncc2N)CC1C
InChIInChI=1S/C13H20N4O/c1-3-16-6-7-17(9-10(16)2)13(18)11-4-5-15-8-12(11)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3
InChIKeyZNGHYIBASXLDJS-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(5-bromo-2-chloro-3-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55217552

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 105070126) is (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccncc2N)CC1C.
What is the InChIKey of (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is ZNGHYIBASXLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-16-6-7-17(9-10(16)2)13(18)11-4-5-15-8-12(11)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3.
What are the key properties of (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 105070126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).