N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide

C14H19BrN2O — CID 115274320

IUPACN-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
SMILESO=C(CCCC1CCCC1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H19BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-3-6-11-4-1-2-5-11/h8-11H,1-7H2,(H,16,17,18)
InChIKeyXQFHTUUAQVQWRJ-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.14
Rot. Bonds5

About N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide

N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide (PubChem CID 115274320) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
PubChem CID115274320
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
SMILESO=C(CCCC1CCCC1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H19BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-3-6-11-4-1-2-5-11/h8-11H,1-7H2,(H,16,17,18)
InChIKeyXQFHTUUAQVQWRJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-(5-bromo-2-carbamothioylphenyl)-3-cyclohexylpropanamide
CID 107798584
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
CID 114259223
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide (CID 115274320) is N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide is O=C(CCCC1CCCC1)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide?
The InChIKey is XQFHTUUAQVQWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-8-9-16-13(10-12)17-14(18)7-3-6-11-4-1-2-5-11/h8-11H,1-7H2,(H,16,17,18).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide?
N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide has a molecular weight of 311.22 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide is sourced from PubChem (CID 115274320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).