2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide

C14H20BrN3O2 — CID 103961997

IUPAC2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
SMILESNc1cn(CC(=O)NC2CCCCCC2)cc(Br)c1=O
InChIInChI=1S/C14H20BrN3O2/c15-11-7-18(8-12(16)14(11)20)9-13(19)17-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,16H2,(H,17,19)
InChIKeyPANVRCJIGSMLHC-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.03
Rot. Bonds3

About 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide

2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide (PubChem CID 103961997) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
PubChem CID103961997
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
SMILESNc1cn(CC(=O)NC2CCCCCC2)cc(Br)c1=O
InChIInChI=1S/C14H20BrN3O2/c15-11-7-18(8-12(16)14(11)20)9-13(19)17-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,16H2,(H,17,19)
InChIKeyPANVRCJIGSMLHC-UHFFFAOYSA-N
XLogP2.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
CID 83206156
N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
CID 83209831
[2-(cycloheptylamino)-2-oxoethyl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 4194818
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
CID 20927507
3-(3-amino-5-bromo-4-oxo-1-pyridinyl)propanoic acid
CID 103961758
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778
4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345158
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(2-carbamothioylpyrrol-1-yl)-N-cycloheptylacetamide
CID 114653751
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide?
The IUPAC name of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide (CID 103961997) is 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide is Nc1cn(CC(=O)NC2CCCCCC2)cc(Br)c1=O.
What is the InChIKey of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide?
The InChIKey is PANVRCJIGSMLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c15-11-7-18(8-12(16)14(11)20)9-13(19)17-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,16H2,(H,17,19).
What are the key properties of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide?
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide has a molecular weight of 342.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide is sourced from PubChem (CID 103961997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).