5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide

C12H14BrClN2O — CID 62001192

IUPAC5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(13)6-15-11(10)14/h5-8H,3-4H2,1-2H3
InChIKeyDPKLNWBUYWDLCP-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide

5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide (PubChem CID 62001192) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
PubChem CID62001192
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(13)6-15-11(10)14/h5-8H,3-4H2,1-2H3
InChIKeyDPKLNWBUYWDLCP-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.37
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 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide (CID 62001192) is 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide is CC(C1CC1)N(C)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is DPKLNWBUYWDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c1-7(8-3-4-8)16(2)12(17)10-5-9(13)6-15-11(10)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62001192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).