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

C12H14BrN3O3 — CID 83100375

IUPAC4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O3/c1-14-11(17)10-7-19-5-4-16(10)12(18)9-3-2-8(13)6-15-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,17)
InChIKeyMOBDWIRXNLVWNR-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.43
Rot. Bonds2

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

4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83100375) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83100375
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O3/c1-14-11(17)10-7-19-5-4-16(10)12(18)9-3-2-8(13)6-15-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,17)
InChIKeyMOBDWIRXNLVWNR-UHFFFAOYSA-N
XLogP0.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097025
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(5,6-dichloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097617

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide (CID 83100375) is 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is MOBDWIRXNLVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-14-11(17)10-7-19-5-4-16(10)12(18)9-3-2-8(13)6-15-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide?
4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 0.43, 2 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-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83100375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).