1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone

C20H25NO2 — CID 25066817

IUPAC1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
InChIKeySYPTUKPLDUOMNT-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.98
Rot. Bonds4

About 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone

1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone (PubChem CID 25066817) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
PubChem CID25066817
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
InChIKeySYPTUKPLDUOMNT-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S,11R,13S,14S,16S,17S)-17-(cyclopropanecarbonyl)-16-ethenyl-11-[4-(6-methoxy-3-pyridinyl)phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 44451381
(11beta,16alpha,17beta)-17-Cyclopropylcarbonyl-11-[4-(6-methoxypyridin-3-yl)phenyl]-16-methylestra 4,9-dien-3-one
CID 44451394
(8S,11R,13S,14S,17S)-17-(cyclopropanecarbonyl)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 44451464
(8S,11R,13S,14S)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-13-methylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-cyclopentane]-1',3-dione
CID 44451244
2-(1-adamantyl)-N-(6-methoxypyridin-3-yl)acetamide
CID 4916617
Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester
CID 9971194
2-(4-Pyridyl)propan-2-yl 1-adamantanecarboxylate
CID 10447478
Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-yl-ethyl ester
CID 10566080
Adamantane-1-carboxylic acid (R)-1-pyridin-3-yl-ethyl ester
CID 10660816
Adamantane-1-carboxylic acid (S)-1-pyridin-3-yl-ethyl ester
CID 10755577
Adamantane-1-carboxylic acid pyridin-3-ylmethyl ester
CID 10826001
Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-ethyl ester
CID 10827014

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The IUPAC name of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone (CID 25066817) is 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone.
What is the SMILES notation for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The canonical SMILES for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone is COc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The InChIKey is SYPTUKPLDUOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3.
What are the key properties of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone has a molecular weight of 311.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone is sourced from PubChem (CID 25066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).