2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

C11H13BrN4O2 — CID 114194096

IUPAC2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)ncc2Br)C1=O
InChIInChI=1S/C11H13BrN4O2/c1-16-3-2-8(11(16)18)15-10(17)6-4-9(13)14-5-7(6)12/h4-5,8H,2-3H2,1H3,(H2,13,14)(H,15,17)
InChIKeyWSIUYCBCQGGTSE-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.39
Rot. Bonds2

About 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 114194096) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID114194096
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)ncc2Br)C1=O
InChIInChI=1S/C11H13BrN4O2/c1-16-3-2-8(11(16)18)15-10(17)6-4-9(13)14-5-7(6)12/h4-5,8H,2-3H2,1H3,(H2,13,14)(H,15,17)
InChIKeyWSIUYCBCQGGTSE-UHFFFAOYSA-N
XLogP0.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 114194050
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249454
4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
CID 103799877
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
CID 103858137

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (CID 114194096) is 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2cc(N)ncc2Br)C1=O.
What is the InChIKey of 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is WSIUYCBCQGGTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-16-3-2-8(11(16)18)15-10(17)6-4-9(13)14-5-7(6)12/h4-5,8H,2-3H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).