5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide

C14H22BrN3O2 — CID 107201170

IUPAC5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H22BrN3O2/c1-3-16-13-12(9-11(15)10-17-13)14(20)18(2)7-5-4-6-8-19/h9-10,19H,3-8H2,1-2H3,(H,16,17)
InChIKeyCVRZZXMCHYNNFJ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.51
Rot. Bonds8

About 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide (PubChem CID 107201170) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
PubChem CID107201170
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H22BrN3O2/c1-3-16-13-12(9-11(15)10-17-13)14(20)18(2)7-5-4-6-8-19/h9-10,19H,3-8H2,1-2H3,(H,16,17)
InChIKeyCVRZZXMCHYNNFJ-UHFFFAOYSA-N
XLogP2.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide (CID 107201170) is 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)N(C)CCCCCO.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The InChIKey is CVRZZXMCHYNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-3-16-13-12(9-11(15)10-17-13)14(20)18(2)7-5-4-6-8-19/h9-10,19H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 107201170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).