1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

C12H14BrN3O2 — CID 62953067

IUPAC1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O2/c1-14-11(17)10-3-2-6-16(10)12(18)9-5-4-8(13)7-15-9/h4-5,7,10H,2-3,6H2,1H3,(H,14,17)
InChIKeyZUOJATLFMFGKHT-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.19
Rot. Bonds2

About 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 62953067) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID62953067
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O2/c1-14-11(17)10-3-2-6-16(10)12(18)9-5-4-8(13)7-15-9/h4-5,7,10H,2-3,6H2,1H3,(H,14,17)
InChIKeyZUOJATLFMFGKHT-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 63374706
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 62953067) is 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZUOJATLFMFGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-14-11(17)10-3-2-6-16(10)12(18)9-5-4-8(13)7-15-9/h4-5,7,10H,2-3,6H2,1H3,(H,14,17).
What are the key properties of 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62953067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).