N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide

C18H28N4O — CID 109274884

IUPACN-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C18H28N4O/c23-18(22-15-10-4-1-2-5-11-15)16-12-20-17(13-19-16)21-14-8-6-3-7-9-14/h12-15H,1-11H2,(H,20,21)(H,22,23)
InChIKeyADGNILTWSNUBQV-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.67
Rot. Bonds4

About N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide

N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide (PubChem CID 109274884) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
PubChem CID109274884
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C18H28N4O/c23-18(22-15-10-4-1-2-5-11-15)16-12-20-17(13-19-16)21-14-8-6-3-7-9-14/h12-15H,1-11H2,(H,20,21)(H,22,23)
InChIKeyADGNILTWSNUBQV-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 73755189
6-[Butyl(methyl)amino]-N-cycloheptylpyrazine-2-carboxamide
CID 44438591
N-(4-Methylcyclohexyl)-5-(piperidin-1-yl)pyrazine-2-carboxamide
CID 44438596
N-cycloheptyl-5-(piperidin-1-yl)pyrazine-2-carboxamide
CID 44438597
4(3H)-Pteridinone, 3-cyclohexyl-2-methyl-
CID 214922
2-amino-N-methyl-4-oxo-3H-pteridine-7-carboxamide
CID 136025899
6-(Octylamino)pyrazine-2-carboxamide
CID 76321163
5-(Methylamino)pyrazine-2-carboxamide
CID 21419005
6-(Methylamino)pyrazine-2-carboxamide
CID 55250465
6-(Ethylamino)pyrazine-2-carboxamide
CID 69290777
6-(Butylamino)pyrazine-2-carboxamide
CID 69291756
US9656988, Example 186
CID 118114989

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide (CID 109274884) is N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide is O=C(NC1CCCCCC1)c1cnc(NC2CCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide?
The InChIKey is ADGNILTWSNUBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(22-15-10-4-1-2-5-11-15)16-12-20-17(13-19-16)21-14-8-6-3-7-9-14/h12-15H,1-11H2,(H,20,21)(H,22,23).
What are the key properties of N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide?
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109274884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).