4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

C14H16BrN3O3 — CID 83102689

IUPAC4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H16BrN3O3/c15-9-1-4-11(16-7-9)14(20)18-5-6-21-8-12(18)13(19)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,19)
InChIKeyNJEVYXZKKBCPBP-UHFFFAOYSA-N
MW354.20 g/mol
LogP0.96
Rot. Bonds3

About 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83102689) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83102689
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H16BrN3O3/c15-9-1-4-11(16-7-9)14(20)18-5-6-21-8-12(18)13(19)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,19)
InChIKeyNJEVYXZKKBCPBP-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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Related Compounds

4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
N-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098612
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099541
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 83096346
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83097063

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83102689) is 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is NJEVYXZKKBCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-9-1-4-11(16-7-9)14(20)18-5-6-21-8-12(18)13(19)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,19).
What are the key properties of 4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(5-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-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83102689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).