N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide

C14H19BrN2O — CID 106754316

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCBr)C2CCC2)ccn1
InChIInChI=1S/C14H19BrN2O/c1-11-10-12(6-8-16-11)14(18)17(9-3-7-15)13-4-2-5-13/h6,8,10,13H,2-5,7,9H2,1H3
InChIKeyVNLCPKAVRIDRNY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.17
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide (PubChem CID 106754316) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
PubChem CID106754316
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCBr)C2CCC2)ccn1
InChIInChI=1S/C14H19BrN2O/c1-11-10-12(6-8-16-11)14(18)17(9-3-7-15)13-4-2-5-13/h6,8,10,13H,2-5,7,9H2,1H3
InChIKeyVNLCPKAVRIDRNY-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.17
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-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-cyclobutyl-N-(3-hydroxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 102870330
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
CID 102872526
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide (CID 106754316) is N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N(CCCBr)C2CCC2)ccn1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide?
The InChIKey is VNLCPKAVRIDRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-10-12(6-8-16-11)14(18)17(9-3-7-15)13-4-2-5-13/h6,8,10,13H,2-5,7,9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).