5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide

C12H16BrN3O2 — CID 112688688

IUPAC5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)5-6-14-12(18)10-4-3-9(13)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLSDCLVPSCXRKOJ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.49
Rot. Bonds5

About 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide

5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide (PubChem CID 112688688) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
PubChem CID112688688
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)5-6-14-12(18)10-4-3-9(13)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLSDCLVPSCXRKOJ-UHFFFAOYSA-N
XLogP1.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide (CID 112688688) is 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide is CC(C)NC(=O)CCNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The InChIKey is LSDCLVPSCXRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)5-6-14-12(18)10-4-3-9(13)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 112688688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).