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

C11H18N4O2 — CID 109270966

IUPACN-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCOC)cn1
InChIInChI=1S/C11H18N4O2/c1-3-4-12-10-8-14-9(7-15-10)11(16)13-5-6-17-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyBRMQBNYDWHUVAL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds7

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

N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 109270966) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID109270966
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCOC)cn1
InChIInChI=1S/C11H18N4O2/c1-3-4-12-10-8-14-9(7-15-10)11(16)13-5-6-17-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyBRMQBNYDWHUVAL-UHFFFAOYSA-N
XLogP0.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271955
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide (CID 109270966) is N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCOC)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is BRMQBNYDWHUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-12-10-8-14-9(7-15-10)11(16)13-5-6-17-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109270966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).