3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one

C18H25N5O — CID 110105596

IUPAC3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC1c1ccnc(NC)c1
InChIInChI=1S/C18H25N5O/c1-3-17-21-9-12-22(17)11-7-18(24)23-10-4-5-15(23)14-6-8-20-16(13-14)19-2/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyZFAZRGVSYXBRMT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.64
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110105596) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110105596
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC1c1ccnc(NC)c1
InChIInChI=1S/C18H25N5O/c1-3-17-21-9-12-22(17)11-7-18(24)23-10-4-5-15(23)14-6-8-20-16(13-14)19-2/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyZFAZRGVSYXBRMT-UHFFFAOYSA-N
XLogP2.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 125025402
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110105585
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 70721497
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
2-(benzimidazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125014811
2-(benzotriazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023926

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 110105596) is 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCC1c1ccnc(NC)c1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZFAZRGVSYXBRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-17-21-9-12-22(17)11-7-18(24)23-10-4-5-15(23)14-6-8-20-16(13-14)19-2/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110105596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).