[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C15H23BrN4O — CID 81464108

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H23BrN4O/c1-5-17-14-12(6-11(16)7-18-14)15(21)20-8-10(2)13(9-20)19(3)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyGVAADHNPRXKVOW-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.30
Rot. Bonds4

About [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81464108) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81464108
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H23BrN4O/c1-5-17-14-12(6-11(16)7-18-14)15(21)20-8-10(2)13(9-20)19(3)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyGVAADHNPRXKVOW-UHFFFAOYSA-N
XLogP2.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81464108) is [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CCNc1ncc(Br)cc1C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is GVAADHNPRXKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-5-17-14-12(6-11(16)7-18-14)15(21)20-8-10(2)13(9-20)19(3)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 355.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81464108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).