(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone

C14H22N4O — CID 105069851

IUPAC(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyWMOFPQVEHOBXSO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds3

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

(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 105069851) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID105069851
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyWMOFPQVEHOBXSO-UHFFFAOYSA-N
XLogP1.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 105069851) is (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)c2ccncc2N)CC1.
What is the InChIKey of (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WMOFPQVEHOBXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of (3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.22, 3 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-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 105069851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).