1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine

C14H22BrN3 — CID 105367921

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ncc(C)cc2Br)C1
InChIInChI=1S/C14H22BrN3/c1-4-17(5-2)12-6-7-18(10-12)14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyXLMRBXARVPKKJG-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine

1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 105367921) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID105367921
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ncc(C)cc2Br)C1
InChIInChI=1S/C14H22BrN3/c1-4-17(5-2)12-6-7-18(10-12)14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3
InChIKeyXLMRBXARVPKKJG-UHFFFAOYSA-N
XLogP3.07
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
5-bromo-6-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpyridin-3-amine
CID 104506822
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine (CID 105367921) is 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ncc(C)cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is XLMRBXARVPKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-4-17(5-2)12-6-7-18(10-12)14-13(15)8-11(3)9-16-14/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 312.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 105367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).