[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone

C23H25N3O3 — CID 59625408

IUPAC[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)C(c3ccccc3)C2)c(NCc2ccco2)n1
InChIInChI=1S/C23H25N3O3/c1-16-9-10-19(22(25-16)24-14-18-8-5-13-29-18)23(28)26-12-11-21(27)20(15-26)17-6-3-2-4-7-17/h2-10,13,20-21,27H,11-12,14-15H2,1H3,(H,24,25)
InChIKeyWHCDXKPQIGQENU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.59
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone

[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone (PubChem CID 59625408) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone
PubChem CID59625408
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)C(c3ccccc3)C2)c(NCc2ccco2)n1
InChIInChI=1S/C23H25N3O3/c1-16-9-10-19(22(25-16)24-14-18-8-5-13-29-18)23(28)26-12-11-21(27)20(15-26)17-6-3-2-4-7-17/h2-10,13,20-21,27H,11-12,14-15H2,1H3,(H,24,25)
InChIKeyWHCDXKPQIGQENU-UHFFFAOYSA-N
XLogP3.59
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-2-(methylamino)-3-pyridinyl]-(3-phenylazetidin-1-yl)methanone
CID 138055181
[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 59625555
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 45231558
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45238070
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide
CID 3228738
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-[(3S)-3-phenylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42499416

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone (CID 59625408) is [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(O)C(c3ccccc3)C2)c(NCc2ccco2)n1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone?
The InChIKey is WHCDXKPQIGQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-9-10-19(22(25-16)24-14-18-8-5-13-29-18)23(28)26-12-11-21(27)20(15-26)17-6-3-2-4-7-17/h2-10,13,20-21,27H,11-12,14-15H2,1H3,(H,24,25).
What are the key properties of [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone?
[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 59625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).