N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

C17H23N7O — CID 109273181

IUPACN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H23N7O/c1-3-13(2)22-16(25)14-11-21-15(12-20-14)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,25)
InChIKeyRKCOYGBYIAHDQZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.12
Rot. Bonds5

About N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109273181) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109273181
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H23N7O/c1-3-13(2)22-16(25)14-11-21-15(12-20-14)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,25)
InChIKeyRKCOYGBYIAHDQZ-UHFFFAOYSA-N
XLogP1.12
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271173
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109273181) is N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is RKCOYGBYIAHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-13(2)22-16(25)14-11-21-15(12-20-14)23-7-9-24(10-8-23)17-18-5-4-6-19-17/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).