[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

C20H27N3O2 — CID 97018716

IUPAC[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cn1
InChIInChI=1S/C20H27N3O2/c1-15(2)25-19-11-10-16(14-21-19)20(24)23-13-6-4-5-8-18(23)17-9-7-12-22(17)3/h7,9-12,14-15,18H,4-6,8,13H2,1-3H3/t18-/m1/s1
InChIKeyRBFNRFTXOLFFOZ-GOSISDBHSA-N
MW341.46 g/mol
LogP3.96
Rot. Bonds4

About [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 97018716) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID97018716
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cn1
InChIInChI=1S/C20H27N3O2/c1-15(2)25-19-11-10-16(14-21-19)20(24)23-13-6-4-5-8-18(23)17-9-7-12-22(17)3/h7,9-12,14-15,18H,4-6,8,13H2,1-3H3/t18-/m1/s1
InChIKeyRBFNRFTXOLFFOZ-GOSISDBHSA-N
XLogP3.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 24685141
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 96533760
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24685164
(3-hydroxy-2-pyridinyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 99697978
N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide
CID 24685063
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
(1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24653748
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 112810410
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]acetamide
CID 24685093

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 97018716) is [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cn1.
What is the InChIKey of [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is RBFNRFTXOLFFOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)25-19-11-10-16(14-21-19)20(24)23-13-6-4-5-8-18(23)17-9-7-12-22(17)3/h7,9-12,14-15,18H,4-6,8,13H2,1-3H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 97018716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).