5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C12H16BrN3O2 — CID 91119089

IUPAC5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOC(Br)c1cnc(N2CCCC2)c(C(N)=O)c1
InChIInChI=1S/C12H16BrN3O2/c1-18-10(13)8-6-9(11(14)17)12(15-7-8)16-4-2-3-5-16/h6-7,10H,2-5H2,1H3,(H2,14,17)
InChIKeyFVBLXJGYSXMNTM-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.82
Rot. Bonds4

About 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 91119089) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID91119089
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOC(Br)c1cnc(N2CCCC2)c(C(N)=O)c1
InChIInChI=1S/C12H16BrN3O2/c1-18-10(13)8-6-9(11(14)17)12(15-7-8)16-4-2-3-5-16/h6-7,10H,2-5H2,1H3,(H2,14,17)
InChIKeyFVBLXJGYSXMNTM-UHFFFAOYSA-N
XLogP1.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
CID 63622974
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 106835267
5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 63160780
4-cyano-7-methoxy-1-piperidin-1-ylisoquinoline-6-carboxamide
CID 142580672
2-(azetidin-1-yl)-5-bromopyridine-3-carbothioamide
CID 130561173
6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide
CID 134168196
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 123464248
ethane;7-methoxy-1-piperidin-1-yl-4-prop-1-ynylisoquinoline-6-carboxamide
CID 142580703
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 91119089) is 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is COC(Br)c1cnc(N2CCCC2)c(C(N)=O)c1.
What is the InChIKey of 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is FVBLXJGYSXMNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-18-10(13)8-6-9(11(14)17)12(15-7-8)16-4-2-3-5-16/h6-7,10H,2-5H2,1H3,(H2,14,17).
What are the key properties of 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 91119089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).