6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide

C19H23IN4O — CID 69020922

IUPAC6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide
SMILESCC(C)(C)N1CCCC1c1cncc(C(=O)Nc2cccc(I)c2)n1
InChIInChI=1S/C19H23IN4O/c1-19(2,3)24-9-5-8-17(24)15-11-21-12-16(23-15)18(25)22-14-7-4-6-13(20)10-14/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,22,25)
InChIKeyRXQCNJKKYCOSRN-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.27
Rot. Bonds3

About 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide

6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide (PubChem CID 69020922) has the molecular formula C19H23IN4O and a molecular weight of 450.32 g/mol. Its IUPAC name is 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide
PubChem CID69020922
Molecular FormulaC19H23IN4O
Molecular Weight450.32 g/mol
Exact Mass450.09
IUPAC Name6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide
SMILESCC(C)(C)N1CCCC1c1cncc(C(=O)Nc2cccc(I)c2)n1
InChIInChI=1S/C19H23IN4O/c1-19(2,3)24-9-5-8-17(24)15-11-21-12-16(23-15)18(25)22-14-7-4-6-13(20)10-14/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,22,25)
InChIKeyRXQCNJKKYCOSRN-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 103336801
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
3-[6-[1-(2-methoxyacetyl)pyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 110120276
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
5-hydrazinyl-N-(3-iodophenyl)pyridine-2-carboxamide
CID 104642534
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
6-(1-methylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide
CID 118740080
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515

Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide (CID 69020922) is 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide is CC(C)(C)N1CCCC1c1cncc(C(=O)Nc2cccc(I)c2)n1.
What is the InChIKey of 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide?
The InChIKey is RXQCNJKKYCOSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN4O/c1-19(2,3)24-9-5-8-17(24)15-11-21-12-16(23-15)18(25)22-14-7-4-6-13(20)10-14/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,22,25).
What are the key properties of 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide?
6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide has a molecular weight of 450.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 69020922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).