propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

C17H17BrN2O3 — CID 15998888

IUPACpropan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)c(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-10(2)23-17(22)15-6-4-5-14(19-15)16(21)20-13-8-7-11(3)9-12(13)18/h4-10H,1-3H3,(H,20,21)
InChIKeyRSHZXDVGYOUUCS-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.97
Rot. Bonds4

About propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 15998888) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID15998888
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Namepropan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)c(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-10(2)23-17(22)15-6-4-5-14(19-15)16(21)20-13-8-7-11(3)9-12(13)18/h4-10H,1-3H3,(H,20,21)
InChIKeyRSHZXDVGYOUUCS-UHFFFAOYSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (CID 15998888) is propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is Cc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)c(Br)c1.
What is the InChIKey of propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is RSHZXDVGYOUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-10(2)23-17(22)15-6-4-5-14(19-15)16(21)20-13-8-7-11(3)9-12(13)18/h4-10H,1-3H3,(H,20,21).
What are the key properties of propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 377.24 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 15998888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).