[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H27N3O3 — CID 133346797

IUPAC[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCC(Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccc(C)o1
InChIInChI=1S/C20H27N3O3/c1-14-8-10-23(11-9-14)20(24)16-5-7-19(21-12-16)22-17(13-25-3)18-6-4-15(2)26-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,22)
InChIKeyHJBLSLIZJGPBKY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.65
Rot. Bonds6

About [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 133346797) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID133346797
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCC(Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccc(C)o1
InChIInChI=1S/C20H27N3O3/c1-14-8-10-23(11-9-14)20(24)16-5-7-19(21-12-16)22-17(13-25-3)18-6-4-15(2)26-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,22)
InChIKeyHJBLSLIZJGPBKY-UHFFFAOYSA-N
XLogP3.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

6-[[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-N-propylpyridine-3-carboxamide
CID 97098793
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
(4-methylpiperidin-1-yl)-[6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]methanone
CID 133337250
[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
1-[4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84588857
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614

Frequently Asked Questions

What is the IUPAC name of [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 133346797) is [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COCC(Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccc(C)o1.
What is the InChIKey of [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HJBLSLIZJGPBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-8-10-23(11-9-14)20(24)16-5-7-19(21-12-16)22-17(13-25-3)18-6-4-15(2)26-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,22).
What are the key properties of [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133346797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).