5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide

C11H16N4O — CID 109271353

IUPAC5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NC(C)C)cn1
InChIInChI=1S/C11H16N4O/c1-4-5-12-11(16)9-6-14-10(7-13-9)15-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyNVOHEDRXKGEHOM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds5

About 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide

5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109271353) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109271353
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NC(C)C)cn1
InChIInChI=1S/C11H16N4O/c1-4-5-12-11(16)9-6-14-10(7-13-9)15-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyNVOHEDRXKGEHOM-UHFFFAOYSA-N
XLogP1.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271955
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271428
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
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-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109271353) is 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(NC(C)C)cn1.
What is the InChIKey of 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is NVOHEDRXKGEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-5-12-11(16)9-6-14-10(7-13-9)15-8(2)3/h4,6-8H,1,5H2,2-3H3,(H,12,16)(H,14,15).
What are the key properties of 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109271353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).