2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one

C17H20N4O — CID 175657108

IUPAC2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1c1cccc(-n2ccnc2C)n1
InChIInChI=1S/C17H20N4O/c1-12(2)17(22)21-10-5-7-15(21)14-6-4-8-16(19-14)20-11-9-18-13(20)3/h4,6,8-9,11,15H,1,5,7,10H2,2-3H3
InChIKeyNVVSNHSQVCWHKW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one

2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 175657108) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID175657108
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1c1cccc(-n2ccnc2C)n1
InChIInChI=1S/C17H20N4O/c1-12(2)17(22)21-10-5-7-15(21)14-6-4-8-16(19-14)20-11-9-18-13(20)3/h4,6,8-9,11,15H,1,5,7,10H2,2-3H3
InChIKeyNVVSNHSQVCWHKW-UHFFFAOYSA-N
XLogP2.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838301
1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
CID 110152781
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
1-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butane-1,4-dione
CID 125001747
4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110122568
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692
1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 110152840
2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95826950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one (CID 175657108) is 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one is C=C(C)C(=O)N1CCCC1c1cccc(-n2ccnc2C)n1.
What is the InChIKey of 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is NVVSNHSQVCWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)17(22)21-10-5-7-15(21)14-6-4-8-16(19-14)20-11-9-18-13(20)3/h4,6,8-9,11,15H,1,5,7,10H2,2-3H3.
What are the key properties of 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one?
2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 175657108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).