3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide

C17H19BrN6O2 — CID 88852610

IUPAC3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2nc(Br)cnc2N)c1
InChIInChI=1S/C17H19BrN6O2/c18-13-9-21-15(19)14(23-13)17(26)22-11-8-10(16(20)25)4-5-12(11)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H2,19,21)(H2,20,25)(H,22,26)
InChIKeyJIMSPKRKNYFZHJ-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.16
Rot. Bonds4

About 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide

3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 88852610) has the molecular formula C17H19BrN6O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID88852610
Molecular FormulaC17H19BrN6O2
Molecular Weight419.28 g/mol
Exact Mass418.08
IUPAC Name3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2nc(Br)cnc2N)c1
InChIInChI=1S/C17H19BrN6O2/c18-13-9-21-15(19)14(23-13)17(26)22-11-8-10(16(20)25)4-5-12(11)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H2,19,21)(H2,20,25)(H,22,26)
InChIKeyJIMSPKRKNYFZHJ-UHFFFAOYSA-N
XLogP2.16
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide (CID 88852610) is 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2nc(Br)cnc2N)c1.
What is the InChIKey of 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is JIMSPKRKNYFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O2/c18-13-9-21-15(19)14(23-13)17(26)22-11-8-10(16(20)25)4-5-12(11)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H2,19,21)(H2,20,25)(H,22,26).
What are the key properties of 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 88852610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).