5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide

C14H20BrN3O — CID 62167913

IUPAC5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CC)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-3-7-16-13-12(8-10(15)9-17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyUOQDBSOSUSLKLV-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.29
Rot. Bonds6

About 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62167913) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62167913
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CC)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-3-7-16-13-12(8-10(15)9-17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyUOQDBSOSUSLKLV-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
CID 62179650
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 62177656
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide (CID 62167913) is 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)N(CC)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is UOQDBSOSUSLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-7-16-13-12(8-10(15)9-17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).