N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide

C16H13BrN4O2 — CID 109177861

IUPACN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ccn2)no1
InChIInChI=1S/C16H13BrN4O2/c1-10-8-15(21-23-10)20-14-9-11(6-7-18-14)16(22)19-13-4-2-12(17)3-5-13/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyXQNOMGPPPBQDIT-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.14
Rot. Bonds4

About N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide

N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide (PubChem CID 109177861) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
PubChem CID109177861
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ccn2)no1
InChIInChI=1S/C16H13BrN4O2/c1-10-8-15(21-23-10)20-14-9-11(6-7-18-14)16(22)19-13-4-2-12(17)3-5-13/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyXQNOMGPPPBQDIT-UHFFFAOYSA-N
XLogP4.14
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
N-(4-bromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247582
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178937
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093229
2-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62247564
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837
N-(4-acetamidophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164581
2-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62167570

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide (CID 109177861) is N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ccn2)no1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The InChIKey is XQNOMGPPPBQDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-10-8-15(21-23-10)20-14-9-11(6-7-18-14)16(22)19-13-4-2-12(17)3-5-13/h2-9H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109177861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).