phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone

C19H22N2O2 — CID 102539451

IUPACphenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCC(C)Oc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)23-18-16(10-6-12-20-18)17-11-7-13-21(17)19(22)15-8-4-3-5-9-15/h3-6,8-10,12,14,17H,7,11,13H2,1-2H3
InChIKeyFGKXWMHYDFGLQA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.85
Rot. Bonds4

About phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone

phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 102539451) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
PubChem CID102539451
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namephenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCC(C)Oc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)23-18-16(10-6-12-20-18)17-11-7-13-21(17)19(22)15-8-4-3-5-9-15/h3-6,8-10,12,14,17H,7,11,13H2,1-2H3
InChIKeyFGKXWMHYDFGLQA-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl)-phenylmethanone
CID 110100074
(3-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone (CID 102539451) is phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone is CC(C)Oc1ncccc1C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone?
The InChIKey is FGKXWMHYDFGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)23-18-16(10-6-12-20-18)17-11-7-13-21(17)19(22)15-8-4-3-5-9-15/h3-6,8-10,12,14,17H,7,11,13H2,1-2H3.
What are the key properties of phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone?
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102539451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).