(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C14H16N6O — CID 43048920

IUPAC(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESNc1nccnc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H16N6O/c15-13-12(17-5-6-18-13)14(21)20-9-7-19(8-10-20)11-1-3-16-4-2-11/h1-6H,7-10H2,(H2,15,18)
InChIKeyIMFIJXSHHIUOAY-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.42
Rot. Bonds2

About (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 43048920) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID43048920
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESNc1nccnc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H16N6O/c15-13-12(17-5-6-18-13)14(21)20-9-7-19(8-10-20)11-1-3-16-4-2-11/h1-6H,7-10H2,(H2,15,18)
InChIKeyIMFIJXSHHIUOAY-UHFFFAOYSA-N
XLogP0.42
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024444
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 32518605
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 56941689

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 43048920) is (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is Nc1nccnc1C(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is IMFIJXSHHIUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-13-12(17-5-6-18-13)14(21)20-9-7-19(8-10-20)11-1-3-16-4-2-11/h1-6H,7-10H2,(H2,15,18).
What are the key properties of (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43048920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).