(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C18H20N2O — CID 42939220

IUPAC(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-2-14-5-7-16(8-6-14)18(21)20-13-3-4-17(20)15-9-11-19-12-10-15/h5-12,17H,2-4,13H2,1H3
InChIKeyKASYVUYUMSOWPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.62
Rot. Bonds3

About (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 42939220) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID42939220
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-2-14-5-7-16(8-6-14)18(21)20-13-3-4-17(20)15-9-11-19-12-10-15/h5-12,17H,2-4,13H2,1H3
InChIKeyKASYVUYUMSOWPX-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]phenyl]methylurea
CID 97012051
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 56815043
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110871633
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 42939220) is (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is CCc1ccc(C(=O)N2CCCC2c2ccncc2)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is KASYVUYUMSOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-14-5-7-16(8-6-14)18(21)20-13-3-4-17(20)15-9-11-19-12-10-15/h5-12,17H,2-4,13H2,1H3.
What are the key properties of (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).