N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide

C13H16BrClN2O — CID 102872235

IUPACN-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrClN2O/c14-7-2-8-17(11-3-1-4-11)13(18)12-6-5-10(15)9-16-12/h5-6,9,11H,1-4,7-8H2
InChIKeyUFKAKAFOSACCQE-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.51
Rot. Bonds5

About N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide

N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide (PubChem CID 102872235) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
PubChem CID102872235
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrClN2O/c14-7-2-8-17(11-3-1-4-11)13(18)12-6-5-10(15)9-16-12/h5-6,9,11H,1-4,7-8H2
InChIKeyUFKAKAFOSACCQE-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
CID 97237339
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide (CID 102872235) is N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide is O=C(c1ccc(Cl)cn1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide?
The InChIKey is UFKAKAFOSACCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-7-2-8-17(11-3-1-4-11)13(18)12-6-5-10(15)9-16-12/h5-6,9,11H,1-4,7-8H2.
What are the key properties of N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide?
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide is sourced from PubChem (CID 102872235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).