2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide

C12H15BrN2O — CID 103752379

IUPAC2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-8(9-3-4-9)15(2)12(16)10-5-6-14-11(13)7-10/h5-9H,3-4H2,1-2H3
InChIKeyMSBJRXJTEGCMRO-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide

2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide (PubChem CID 103752379) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
PubChem CID103752379
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-8(9-3-4-9)15(2)12(16)10-5-6-14-11(13)7-10/h5-9H,3-4H2,1-2H3
InChIKeyMSBJRXJTEGCMRO-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
4-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420571
N-(1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762881
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
N-(1-cyclopropylethyl)-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 75414813
N-(1-cyclopropylethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24658431
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide (CID 103752379) is 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide is CC(C1CC1)N(C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is MSBJRXJTEGCMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(9-3-4-9)15(2)12(16)10-5-6-14-11(13)7-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide?
2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103752379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).