2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C15H22BrN3O — CID 103752787

IUPAC2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCN(C(=O)c1cccnc1Br)C1CCCC1
InChIInChI=1S/C15H22BrN3O/c1-18(2)10-11-19(12-6-3-4-7-12)15(20)13-8-5-9-17-14(13)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeyYICZTFFGPLACNC-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.79
Rot. Bonds5

About 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 103752787) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID103752787
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCN(C(=O)c1cccnc1Br)C1CCCC1
InChIInChI=1S/C15H22BrN3O/c1-18(2)10-11-19(12-6-3-4-7-12)15(20)13-8-5-9-17-14(13)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeyYICZTFFGPLACNC-UHFFFAOYSA-N
XLogP2.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 103752593
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537
N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173918
2-chloro-N-cyclohexyl-N-ethylpyridine-3-carboxamide
CID 18069572
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 103752787) is 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is CN(C)CCN(C(=O)c1cccnc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is YICZTFFGPLACNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18(2)10-11-19(12-6-3-4-7-12)15(20)13-8-5-9-17-14(13)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).