3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide

C14H14BrN5O2 — CID 18135661

IUPAC3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1nccnc1N
InChIInChI=1S/C14H14BrN5O2/c1-8-6-9(15)2-3-10(8)20-11(21)7-19-14(22)12-13(16)18-5-4-17-12/h2-6H,7H2,1H3,(H2,16,18)(H,19,22)(H,20,21)
InChIKeyCNGZIFSWYYMPGN-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide

3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 18135661) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID18135661
Molecular FormulaC14H14BrN5O2
Molecular Weight364.20 g/mol
Exact Mass363.03
IUPAC Name3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1nccnc1N
InChIInChI=1S/C14H14BrN5O2/c1-8-6-9(15)2-3-10(8)20-11(21)7-19-14(22)12-13(16)18-5-4-17-12/h2-6H,7H2,1H3,(H2,16,18)(H,19,22)(H,20,21)
InChIKeyCNGZIFSWYYMPGN-UHFFFAOYSA-N
XLogP1.50
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 106679065
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
CID 16548195
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858960
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838821
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide (CID 18135661) is 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is CNGZIFSWYYMPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c1-8-6-9(15)2-3-10(8)20-11(21)7-19-14(22)12-13(16)18-5-4-17-12/h2-6H,7H2,1H3,(H2,16,18)(H,19,22)(H,20,21).
What are the key properties of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 364.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 18135661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).