(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone

C21H24N2O2 — CID 87055846

IUPAC(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cn1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-19-9-8-16(13-22-19)20(24)23-11-10-21(12-18(21)14-23)17-6-4-3-5-7-17/h3-9,13,15,18H,10-12,14H2,1-2H3
InChIKeyLNLSAAFSNAIPCU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.67
Rot. Bonds4

About (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone

(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 87055846) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID87055846
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cn1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-19-9-8-16(13-22-19)20(24)23-11-10-21(12-18(21)14-23)17-6-4-3-5-7-17/h3-9,13,15,18H,10-12,14H2,1-2H3
InChIKeyLNLSAAFSNAIPCU-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 87055926
(2S)-6-(6-propan-2-yloxypyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467007
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[(1R,6S)-6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 153321281
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 54670933
(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone
CID 138473800
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741
[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)phenyl]-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 121387383
4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
CID 134160857
(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124973475
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 87055846) is (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cn1.
What is the InChIKey of (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is LNLSAAFSNAIPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)25-19-9-8-16(13-22-19)20(24)23-11-10-21(12-18(21)14-23)17-6-4-3-5-7-17/h3-9,13,15,18H,10-12,14H2,1-2H3.
What are the key properties of (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 87055846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).