N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide

C11H13BrN2O — CID 130163122

IUPACN-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)nc2)CC1
InChIInChI=1S/C11H13BrN2O/c1-2-11(5-6-11)10(15)14-8-3-4-9(12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyIWFLJWPLCZNRHX-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.97
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide

N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide (PubChem CID 130163122) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide
PubChem CID130163122
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)nc2)CC1
InChIInChI=1S/C11H13BrN2O/c1-2-11(5-6-11)10(15)14-8-3-4-9(12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyIWFLJWPLCZNRHX-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130161849
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
4-ethyl-N-(6-pyrazol-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 146131318
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine
CID 130918006
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide (CID 130163122) is N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide is CCC1(C(=O)Nc2ccc(Br)nc2)CC1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The InChIKey is IWFLJWPLCZNRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-2-11(5-6-11)10(15)14-8-3-4-9(12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130163122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).