[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C25H33N3O2 — CID 133332166

IUPAC[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C2OCCCC2CNc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C25H33N3O2/c1-18-5-7-20(8-6-18)24-21(4-3-15-30-24)16-26-23-10-9-22(17-27-23)25(29)28-13-11-19(2)12-14-28/h5-10,17,19,21,24H,3-4,11-16H2,1-2H3,(H,26,27)
InChIKeyLRGVJVOALXOWPT-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.84
Rot. Bonds5

About [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 133332166) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID133332166
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C2OCCCC2CNc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C25H33N3O2/c1-18-5-7-20(8-6-18)24-21(4-3-15-30-24)16-26-23-10-9-22(17-27-23)25(29)28-13-11-19(2)12-14-28/h5-10,17,19,21,24H,3-4,11-16H2,1-2H3,(H,26,27)
InChIKeyLRGVJVOALXOWPT-UHFFFAOYSA-N
XLogP4.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
CID 133332203
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
CID 133332206
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
CID 133440136
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 133332166) is [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C2OCCCC2CNc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1.
What is the InChIKey of [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LRGVJVOALXOWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18-5-7-20(8-6-18)24-21(4-3-15-30-24)16-26-23-10-9-22(17-27-23)25(29)28-13-11-19(2)12-14-28/h5-10,17,19,21,24H,3-4,11-16H2,1-2H3,(H,26,27).
What are the key properties of [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 407.56 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133332166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).