(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C15H17N5O — CID 68729434

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

About (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 68729434) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID68729434
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cn1
InChIInChI=1S/C15H17N5O/c16-14-2-1-12(11-18-14)15(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10H2,(H2,16,18)
InChIKeyMQFATKJHMVKXQF-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

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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]-pyridin-3-ylmethanone
CID 43461900
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048920
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 68729434) is (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is Nc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is MQFATKJHMVKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14-2-1-12(11-18-14)15(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10H2,(H2,16,18).
What are the key properties of (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone 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 (6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68729434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).