N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide

C16H26N4O — CID 107374667

IUPACN-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCC2CCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-2-9-17-15-12-19-14(11-20-15)16(21)18-10-8-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKXKWNPVSSOQQLK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.00
Rot. Bonds7

About N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide

N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374667) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374667
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCC2CCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-2-9-17-15-12-19-14(11-20-15)16(21)18-10-8-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKXKWNPVSSOQQLK-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-cyclohexyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374221
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107374667) is N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCC2CCCCC2)cn1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is KXKWNPVSSOQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-9-17-15-12-19-14(11-20-15)16(21)18-10-8-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).