N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide

C11H15BrN2O — CID 80665693

IUPACN-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N(C)CC(C)Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(6-13-5-8)11(15)14(3)7-9(2)12/h4-6,9H,7H2,1-3H3
InChIKeyULYVWKMZZSDMMS-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.25
Rot. Bonds3

About N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide

N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide (PubChem CID 80665693) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide
PubChem CID80665693
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N(C)CC(C)Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-4-10(6-13-5-8)11(15)14(3)7-9(2)12/h4-6,9H,7H2,1-3H3
InChIKeyULYVWKMZZSDMMS-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.25
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-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
N-(1-bromopropan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 104556158
5-hydroxy-N-[(2R)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
CID 167850128
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
N-(2-bromopropyl)-3,5-dimethoxy-N-methylbenzamide
CID 80665087
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
CID 116652008

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide (CID 80665693) is N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide is Cc1cncc(C(=O)N(C)CC(C)Br)c1.
What is the InChIKey of N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide?
The InChIKey is ULYVWKMZZSDMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-10(6-13-5-8)11(15)14(3)7-9(2)12/h4-6,9H,7H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide?
N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 80665693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).