2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid

C26H35N3O3 — CID 146281809

IUPAC2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(-c2ccc(OCC3CCCC3)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C26H35N3O3/c1-18-21(14-24(30)31)25(29-12-10-26(2,3)11-13-29)22(16-27-18)23-9-8-20(15-28-23)32-17-19-6-4-5-7-19/h8-9,15-16,19H,4-7,10-14,17H2,1-3H3,(H,30,31)
InChIKeyOJGNMTCDLRUXIA-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.27
Rot. Bonds7

About 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid

2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid (PubChem CID 146281809) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
PubChem CID146281809
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(-c2ccc(OCC3CCCC3)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C26H35N3O3/c1-18-21(14-24(30)31)25(29-12-10-26(2,3)11-13-29)22(16-27-18)23-9-8-20(15-28-23)32-17-19-6-4-5-7-19/h8-9,15-16,19H,4-7,10-14,17H2,1-3H3,(H,30,31)
InChIKeyOJGNMTCDLRUXIA-UHFFFAOYSA-N
XLogP5.27
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylpropoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 135216240
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 146281947
(2S)-2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 146277572
2-[5-[5-[2-(2,6-difluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216709
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 146281938
(2S)-2-butoxy-2-[5-[5-(cyclobutylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 146277183
2-[5-[5-[2-(2-chloro-6-fluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216502
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(2-methoxyphenyl)ethoxy]-2-pyridinyl]-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398956
2-[5-[5-[2-(3-chlorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398912
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate
CID 135216480
(2S)-2-[5-[5-[(3,3-dimethylcyclobutyl)methoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 146277310
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(trifluoromethylsulfonyloxy)-2-pyridinyl]-3-pyridinyl]acetate
CID 153377886

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid (CID 146281809) is 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid is Cc1ncc(-c2ccc(OCC3CCCC3)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid?
The InChIKey is OJGNMTCDLRUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18-21(14-24(30)31)25(29-12-10-26(2,3)11-13-29)22(16-27-18)23-9-8-20(15-28-23)32-17-19-6-4-5-7-19/h8-9,15-16,19H,4-7,10-14,17H2,1-3H3,(H,30,31).
What are the key properties of 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid?
2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid has a molecular weight of 437.58 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 146281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).