(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone

C18H21NO — CID 116543464

IUPAC(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCc1cccnc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H21NO/c1-4-15-9-6-10-19-17(15)18(20)16-8-5-7-14(12-16)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyRFVJQRNWRZRLIR-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.07
Rot. Bonds5

About (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone

(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116543464) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116543464
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCc1cccnc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H21NO/c1-4-15-9-6-10-19-17(15)18(20)16-8-5-7-14(12-16)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyRFVJQRNWRZRLIR-UHFFFAOYSA-N
XLogP4.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128400
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
3-(2-methylpropyl)benzamide
CID 23130390
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone (CID 116543464) is (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone is CCc1cccnc1C(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is RFVJQRNWRZRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-15-9-6-10-19-17(15)18(20)16-8-5-7-14(12-16)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone?
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 267.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).