3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

C16H19N7 — CID 71980270

IUPAC3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCCc1cc(N2CCC(Nc3nccnc3C#N)CC2)ncn1
InChIInChI=1S/C16H19N7/c1-2-12-9-15(21-11-20-12)23-7-3-13(4-8-23)22-16-14(10-17)18-5-6-19-16/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,19,22)
InChIKeyHJKXBOAZQRODCY-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.78
Rot. Bonds4

About 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 71980270) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID71980270
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCCc1cc(N2CCC(Nc3nccnc3C#N)CC2)ncn1
InChIInChI=1S/C16H19N7/c1-2-12-9-15(21-11-20-12)23-7-3-13(4-8-23)22-16-14(10-17)18-5-6-19-16/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,19,22)
InChIKeyHJKXBOAZQRODCY-UHFFFAOYSA-N
XLogP1.78
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284387
3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284042
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (CID 71980270) is 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is CCc1cc(N2CCC(Nc3nccnc3C#N)CC2)ncn1.
What is the InChIKey of 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is HJKXBOAZQRODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-12-9-15(21-11-20-12)23-7-3-13(4-8-23)22-16-14(10-17)18-5-6-19-16/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,19,22).
What are the key properties of 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 309.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71980270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).