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

C11H11BrN4O2 — CID 62185478

IUPAC2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Br)cnc2N)on1
InChIInChI=1S/C11H11BrN4O2/c1-6-2-8(18-16-6)5-15-11(17)9-3-7(12)4-14-10(9)13/h2-4H,5H2,1H3,(H2,13,14)(H,15,17)
InChIKeyGCGBTVNIMDBLJF-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.65
Rot. Bonds3

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

2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 62185478) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID62185478
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Br)cnc2N)on1
InChIInChI=1S/C11H11BrN4O2/c1-6-2-8(18-16-6)5-15-11(17)9-3-7(12)4-14-10(9)13/h2-4H,5H2,1H3,(H2,13,14)(H,15,17)
InChIKeyGCGBTVNIMDBLJF-UHFFFAOYSA-N
XLogP1.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (CID 62185478) is 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is Cc1cc(CNC(=O)c2cc(Br)cnc2N)on1.
What is the InChIKey of 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GCGBTVNIMDBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-6-2-8(18-16-6)5-15-11(17)9-3-7(12)4-14-10(9)13/h2-4H,5H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62185478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).