(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone

C18H22ClN3O2 — CID 129473994

IUPAC(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
SMILESCN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-21(13-14-5-2-3-10-20-14)15-6-4-11-22(12-9-15)18(23)16-7-8-17(19)24-16/h2-3,5,7-8,10,15H,4,6,9,11-13H2,1H3/t15-/m1/s1
InChIKeyBEPCAUHFLRSTJA-OAHLLOKOSA-N
MW347.85 g/mol
LogP3.45
Rot. Bonds4

About (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone

(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone (PubChem CID 129473994) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
PubChem CID129473994
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
SMILESCN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-21(13-14-5-2-3-10-20-14)15-6-4-11-22(12-9-15)18(23)16-7-8-17(19)24-16/h2-3,5,7-8,10,15H,4,6,9,11-13H2,1H3/t15-/m1/s1
InChIKeyBEPCAUHFLRSTJA-OAHLLOKOSA-N
XLogP3.45
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477840
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128996392
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
CID 129331309
2-(cyclohexen-1-yl)-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]ethanone
CID 129007494
4-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 129474241

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone (CID 129473994) is (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone is CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The InChIKey is BEPCAUHFLRSTJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-21(13-14-5-2-3-10-20-14)15-6-4-11-22(12-9-15)18(23)16-7-8-17(19)24-16/h2-3,5,7-8,10,15H,4,6,9,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone is sourced from PubChem (CID 129473994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).