5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C15H22BrN3O2 — CID 62179962

IUPAC5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(CC)CC1CCCO1
InChIInChI=1S/C15H22BrN3O2/c1-3-17-14-13(8-11(16)9-18-14)15(20)19(4-2)10-12-6-5-7-21-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyNSAOARWRRSVBBC-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.92
Rot. Bonds6

About 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 62179962) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID62179962
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)N(CC)CC1CCCO1
InChIInChI=1S/C15H22BrN3O2/c1-3-17-14-13(8-11(16)9-18-14)15(20)19(4-2)10-12-6-5-7-21-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyNSAOARWRRSVBBC-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-4-hydrazinyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81256372
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
CID 62179650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 62179962) is 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)N(CC)CC1CCCO1.
What is the InChIKey of 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NSAOARWRRSVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-3-17-14-13(8-11(16)9-18-14)15(20)19(4-2)10-12-6-5-7-21-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62179962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).