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

C15H17N5O — CID 43461900

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cn1
InChIInChI=1S/C15H17N5O/c16-14-4-3-13(11-18-14)19-6-8-20(9-7-19)15(21)12-2-1-5-17-10-12/h1-5,10-11H,6-9H2,(H2,16,18)
InChIKeyMWQOTQXYOOFOKI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.02
Rot. Bonds2

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

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 43461900) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID43461900
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cn1
InChIInChI=1S/C15H17N5O/c16-14-4-3-13(11-18-14)19-6-8-20(9-7-19)15(21)12-2-1-5-17-10-12/h1-5,10-11H,6-9H2,(H2,16,18)
InChIKeyMWQOTQXYOOFOKI-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 ≤ 500283.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[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]-(4-chlorophenyl)methanone
CID 136573282
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 143096143
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82331752
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 43461900) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone is Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is MWQOTQXYOOFOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14-4-3-13(11-18-14)19-6-8-20(9-7-19)15(21)12-2-1-5-17-10-12/h1-5,10-11H,6-9H2,(H2,16,18).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 283.33 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-3-ylmethanone is sourced from PubChem (CID 43461900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).