(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C14H20N2O2 — CID 106982335

IUPAC(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1cncc(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(4-5-15-9-14)13(17)11-6-12(18-3)8-16-7-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyGRWBUJRVHZWBAU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds4

About (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982335) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982335
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1cncc(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(4-5-15-9-14)13(17)11-6-12(18-3)8-16-7-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyGRWBUJRVHZWBAU-UHFFFAOYSA-N
XLogP1.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propan-2-ylpyrrolidin-3-yl)-pyrimidin-5-ylmethanone
CID 106982102
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982171
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
CID 116569701
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
(2-methoxy-3,4-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982309
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982335) is (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is COc1cncc(C(=O)C2(C(C)C)CCNC2)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is GRWBUJRVHZWBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)14(4-5-15-9-14)13(17)11-6-12(18-3)8-16-7-11/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).