6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide

C14H20BrN3O2 — CID 103874286

IUPAC6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C14H20BrN3O2/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(15)17-11/h5-7H,3-4,8-10H2,1-2H3,(H,16,19)
InChIKeyLOLLYCRQKBKTLB-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.22
Rot. Bonds7

About 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide

6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide (PubChem CID 103874286) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
PubChem CID103874286
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C14H20BrN3O2/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(15)17-11/h5-7H,3-4,8-10H2,1-2H3,(H,16,19)
InChIKeyLOLLYCRQKBKTLB-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62955102
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
6-bromo-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889845
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide
CID 55893228
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
CID 55862498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide (CID 103874286) is 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The InChIKey is LOLLYCRQKBKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(15)17-11/h5-7H,3-4,8-10H2,1-2H3,(H,16,19).
What are the key properties of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 103874286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).