N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide

C16H15BrN2O — CID 103874221

IUPACN-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cccc(Br)n1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H15BrN2O/c17-15-8-4-7-14(18-15)16(20)19(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2
InChIKeyJTSZFNYRGZCDLX-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.65
Rot. Bonds4

About N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide

N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide (PubChem CID 103874221) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
PubChem CID103874221
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cccc(Br)n1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H15BrN2O/c17-15-8-4-7-14(18-15)16(20)19(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2
InChIKeyJTSZFNYRGZCDLX-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide (CID 103874221) is N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide is O=C(c1cccc(Br)n1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is JTSZFNYRGZCDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-15-8-4-7-14(18-15)16(20)19(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2.
What are the key properties of N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide?
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 103874221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).