3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide

C13H13BrN4O3 — CID 107518559

IUPAC3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2ncccc2Br)no1
InChIInChI=1S/C13H13BrN4O3/c1-8-6-10(17-21-8)16-11(19)7-18(2)13(20)12-9(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyDHZKSWDBLFUNFJ-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.85
Rot. Bonds4

About 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide

3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 107518559) has the molecular formula C13H13BrN4O3 and a molecular weight of 353.18 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID107518559
Molecular FormulaC13H13BrN4O3
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2ncccc2Br)no1
InChIInChI=1S/C13H13BrN4O3/c1-8-6-10(17-21-8)16-11(19)7-18(2)13(20)12-9(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyDHZKSWDBLFUNFJ-UHFFFAOYSA-N
XLogP1.85
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 46477513
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2H-triazole-4-carboxamide
CID 112732797
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55607599
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55772881
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3648005
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46477484
3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46469975
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide (CID 107518559) is 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)c2ncccc2Br)no1.
What is the InChIKey of 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is DHZKSWDBLFUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3/c1-8-6-10(17-21-8)16-11(19)7-18(2)13(20)12-9(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,16,17,19).
What are the key properties of 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 353.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).