N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide

C13H16BrClN2O — CID 102872187

IUPACN-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrClN2O/c14-6-2-8-17(10-3-1-4-10)13(18)11-5-7-16-9-12(11)15/h5,7,9-10H,1-4,6,8H2
InChIKeyCPRSKXDLVIMTFR-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.51
Rot. Bonds5

About N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide

N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide (PubChem CID 102872187) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
PubChem CID102872187
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrClN2O/c14-6-2-8-17(10-3-1-4-10)13(18)11-5-7-16-9-12(11)15/h5,7,9-10H,1-4,6,8H2
InChIKeyCPRSKXDLVIMTFR-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

3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
N-butyl-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 66481975
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide?
The IUPAC name of N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide (CID 102872187) is N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide is O=C(c1ccncc1Cl)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide?
The InChIKey is CPRSKXDLVIMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-6-2-8-17(10-3-1-4-10)13(18)11-5-7-16-9-12(11)15/h5,7,9-10H,1-4,6,8H2.
What are the key properties of N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide?
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-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)-3-chloro-N-cyclobutylpyridine-4-carboxamide is sourced from PubChem (CID 102872187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).