N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide

C12H15BrN2O2 — CID 105063711

IUPACN-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1CCCC1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-7-14-6-5-8(11)12(16)15-10-4-2-3-9(10)13/h5-7,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyKMOVKBRKGOYOHX-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.14
Rot. Bonds3

About N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide

N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063711) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063711
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1CCCC1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-7-14-6-5-8(11)12(16)15-10-4-2-3-9(10)13/h5-7,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyKMOVKBRKGOYOHX-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
CID 105064552
3-methoxy-N-[4-(methylamino)cyclohexyl]pyridine-4-carboxamide
CID 105063330
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
CID 81122470
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 105063230
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide
CID 105064624

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide (CID 105063711) is N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is KMOVKBRKGOYOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-11-7-14-6-5-8(11)12(16)15-10-4-2-3-9(10)13/h5-7,9-10H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide?
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).