2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide

C13H18BrN3O2 — CID 103752570

IUPAC2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cccnc1Br
InChIInChI=1S/C13H18BrN3O2/c1-4-8-17(9-11(18)16(2)3)13(19)10-6-5-7-15-12(10)14/h5-7H,4,8-9H2,1-3H3
InChIKeyPXYGBRILOVNXGH-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.78
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide

2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide (PubChem CID 103752570) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
PubChem CID103752570
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cccnc1Br
InChIInChI=1S/C13H18BrN3O2/c1-4-8-17(9-11(18)16(2)3)13(19)10-6-5-7-15-12(10)14/h5-7H,4,8-9H2,1-3H3
InChIKeyPXYGBRILOVNXGH-UHFFFAOYSA-N
XLogP1.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916469
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
1-(2-bromo-3-pyridinyl)butan-1-one
CID 14343356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide (CID 103752570) is 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide?
The InChIKey is PXYGBRILOVNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-4-8-17(9-11(18)16(2)3)13(19)10-6-5-7-15-12(10)14/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide?
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 103752570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).