N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H13BrN4O3 — CID 154805235

IUPACN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1=O
InChIInChI=1S/C17H13BrN4O3/c1-22-6-5-11(7-15(22)23)16(24)21-13-3-2-4-14(8-13)25-17-19-9-12(18)10-20-17/h2-10H,1H3,(H,21,24)
InChIKeyCGOZEYVABAFTBK-UHFFFAOYSA-N
MW401.22 g/mol
LogP2.98
Rot. Bonds4

About N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 154805235) has the molecular formula C17H13BrN4O3 and a molecular weight of 401.22 g/mol. Its IUPAC name is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID154805235
Molecular FormulaC17H13BrN4O3
Molecular Weight401.22 g/mol
Exact Mass400.02
IUPAC NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1=O
InChIInChI=1S/C17H13BrN4O3/c1-22-6-5-11(7-15(22)23)16(24)21-13-3-2-4-14(8-13)25-17-19-9-12(18)10-20-17/h2-10H,1H3,(H,21,24)
InChIKeyCGOZEYVABAFTBK-UHFFFAOYSA-N
XLogP2.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-(4-ethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610716
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide
CID 167890331
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
1-methyl-2-oxo-N-pyrazin-2-ylpyridine-4-carboxamide
CID 113221321
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
N-(3-hydroxy-4-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103772619
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 154805235) is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1=O.
What is the InChIKey of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CGOZEYVABAFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O3/c1-22-6-5-11(7-15(22)23)16(24)21-13-3-2-4-14(8-13)25-17-19-9-12(18)10-20-17/h2-10H,1H3,(H,21,24).
What are the key properties of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 401.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 154805235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).