4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

C14H16BrN3O3 — CID 107519258

IUPAC4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H16BrN3O3/c15-10-2-1-5-16-12(10)14(20)18-6-7-21-8-11(18)13(19)17-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2,(H,17,19)
InChIKeyQUQURCTUUUTOAG-UHFFFAOYSA-N
MW354.20 g/mol
LogP0.96
Rot. Bonds3

About 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 107519258) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID107519258
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H16BrN3O3/c15-10-2-1-5-16-12(10)14(20)18-6-7-21-8-11(18)13(19)17-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2,(H,17,19)
InChIKeyQUQURCTUUUTOAG-UHFFFAOYSA-N
XLogP0.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (CID 107519258) is 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is QUQURCTUUUTOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-10-2-1-5-16-12(10)14(20)18-6-7-21-8-11(18)13(19)17-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2,(H,17,19).
What are the key properties of 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 354.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 107519258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).