(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C14H20BrN3O — CID 63525317

IUPAC(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O/c1-3-17(4-2)12-7-8-18(10-12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyURVAVLCXMYZSRG-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.40
Rot. Bonds4

About (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63525317) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63525317
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O/c1-3-17(4-2)12-7-8-18(10-12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyURVAVLCXMYZSRG-UHFFFAOYSA-N
XLogP2.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63525317) is (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is URVAVLCXMYZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-17(4-2)12-7-8-18(10-12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 326.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63525317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).