2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide

C10H11BrN2O — CID 103752625

IUPAC2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)C1CC1
InChIInChI=1S/C10H11BrN2O/c1-13(8-2-3-8)10(14)7-4-5-12-9(11)6-7/h4-6,8H,2-3H2,1H3
InChIKeyVCVKWWJXLRZIBY-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.08
Rot. Bonds2

About 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide

2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide (PubChem CID 103752625) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
PubChem CID103752625
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)C1CC1
InChIInChI=1S/C10H11BrN2O/c1-13(8-2-3-8)10(14)7-4-5-12-9(11)6-7/h4-6,8H,2-3H2,1H3
InChIKeyVCVKWWJXLRZIBY-UHFFFAOYSA-N
XLogP2.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.08
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

N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
CID 103752379
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide (CID 103752625) is 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Br)c1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide?
The InChIKey is VCVKWWJXLRZIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-13(8-2-3-8)10(14)7-4-5-12-9(11)6-7/h4-6,8H,2-3H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide?
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide has a molecular weight of 255.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103752625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).