N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide

C16H26N4O — CID 107375618

IUPACN-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC2CCC(C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-11-18-14(10-19-15)16(21)20-9-13-6-4-12(2)5-7-13/h10-13H,3-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXHFQFXPRGJXJGB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds6

About N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide

N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107375618) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107375618
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC2CCC(C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-11-18-14(10-19-15)16(21)20-9-13-6-4-12(2)5-7-13/h10-13H,3-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXHFQFXPRGJXJGB-UHFFFAOYSA-N
XLogP2.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(2,4-dimethylcyclohexyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375780
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107375618) is N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCC2CCC(C)CC2)cn1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is XHFQFXPRGJXJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-15-11-18-14(10-19-15)16(21)20-9-13-6-4-12(2)5-7-13/h10-13H,3-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).