[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone

C15H17N5O — CID 43461901

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cn1
InChIInChI=1S/C15H17N5O/c16-14-2-1-13(11-18-14)19-7-9-20(10-8-19)15(21)12-3-5-17-6-4-12/h1-6,11H,7-10H2,(H2,16,18)
InChIKeyZMZNIAQBFQYWOM-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.02
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 43461901) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID43461901
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cn1
InChIInChI=1S/C15H17N5O/c16-14-2-1-13(11-18-14)19-7-9-20(10-8-19)15(21)12-3-5-17-6-4-12/h1-6,11H,7-10H2,(H2,16,18)
InChIKeyZMZNIAQBFQYWOM-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 82533937
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 43461901) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone is Nc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is ZMZNIAQBFQYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14-2-1-13(11-18-14)19-7-9-20(10-8-19)15(21)12-3-5-17-6-4-12/h1-6,11H,7-10H2,(H2,16,18).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 283.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 43461901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).