5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide

C16H26N4O — CID 109272801

IUPAC5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(2)9-19-16(21)14-10-18-15(11-17-14)20-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYCXKLOPUYDWPTQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.00
Rot. Bonds5

About 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide

5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272801) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272801
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(2)9-19-16(21)14-10-18-15(11-17-14)20-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYCXKLOPUYDWPTQ-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272801) is 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide is CC(C)CNC(=O)c1cnc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is YCXKLOPUYDWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)9-19-16(21)14-10-18-15(11-17-14)20-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).