5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide

C11H16N4O2 — CID 109271955

IUPAC5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCOC)cn1
InChIInChI=1S/C11H16N4O2/c1-3-4-13-11(16)9-7-15-10(8-14-9)12-5-6-17-2/h3,7-8H,1,4-6H2,2H3,(H,12,15)(H,13,16)
InChIKeyNYNFRIDMKYRXQS-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.45
Rot. Bonds7

About 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide

5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109271955) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109271955
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCOC)cn1
InChIInChI=1S/C11H16N4O2/c1-3-4-13-11(16)9-7-15-10(8-14-9)12-5-6-17-2/h3,7-8H,1,4-6H2,2H3,(H,12,15)(H,13,16)
InChIKeyNYNFRIDMKYRXQS-UHFFFAOYSA-N
XLogP0.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180300
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109271955) is 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(NCCOC)cn1.
What is the InChIKey of 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is NYNFRIDMKYRXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-4-13-11(16)9-7-15-10(8-14-9)12-5-6-17-2/h3,7-8H,1,4-6H2,2H3,(H,12,15)(H,13,16).
What are the key properties of 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109271955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).