2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide

C12H16BrN3O — CID 114540575

IUPAC2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C12H16BrN3O/c1-7-2-3-9(4-7)16-12(17)10-5-8(13)6-15-11(10)14/h5-7,9H,2-4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyDAKGUJLALVPQDZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.34
Rot. Bonds2

About 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide (PubChem CID 114540575) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
PubChem CID114540575
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C12H16BrN3O/c1-7-2-3-9(4-7)16-12(17)10-5-8(13)6-15-11(10)14/h5-7,9H,2-4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyDAKGUJLALVPQDZ-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
5-amino-1-methyl-N-(3-methylcyclopentyl)pyrazole-4-carboxamide
CID 114549373
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide (CID 114540575) is 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is DAKGUJLALVPQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7-2-3-9(4-7)16-12(17)10-5-8(13)6-15-11(10)14/h5-7,9H,2-4H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 114540575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).