6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide

C14H20BrN3O — CID 103890012

IUPAC6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C14H20BrN3O/c1-3-18-9-5-6-11(18)10-17(2)14(19)12-7-4-8-13(15)16-12/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyHULGPLWLJCWZHA-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.40
Rot. Bonds4

About 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide

6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 103890012) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID103890012
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C14H20BrN3O/c1-3-18-9-5-6-11(18)10-17(2)14(19)12-7-4-8-13(15)16-12/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyHULGPLWLJCWZHA-UHFFFAOYSA-N
XLogP2.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.40
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

6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79311218
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide (CID 103890012) is 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide is CCN1CCCC1CN(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is HULGPLWLJCWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-18-9-5-6-11(18)10-17(2)14(19)12-7-4-8-13(15)16-12/h4,7-8,11H,3,5-6,9-10H2,1-2H3.
What are the key properties of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103890012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).