5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide

C12H16BrClN2O — CID 62000620

IUPAC5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-4-8(3)16(5-2)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3
InChIKeyDNCUUKQBZYFEKF-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide

5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 62000620) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
PubChem CID62000620
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-4-8(3)16(5-2)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3
InChIKeyDNCUUKQBZYFEKF-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.76
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

5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 113236092
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62001192
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide (CID 62000620) is 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide is CCC(C)N(CC)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is DNCUUKQBZYFEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-4-8(3)16(5-2)12(17)10-6-9(13)7-15-11(10)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide?
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 319.63 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 62000620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).