1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one

C26H34N2O2 — CID 147606318

IUPAC1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
SMILESCN(c1cc(C(=O)CCC(O)CCC2Cc3ccccc3C2)ccn1)C1CCCC1
InChIInChI=1S/C26H34N2O2/c1-28(23-8-4-5-9-23)26-18-22(14-15-27-26)25(30)13-12-24(29)11-10-19-16-20-6-2-3-7-21(20)17-19/h2-3,6-7,14-15,18-19,23-24,29H,4-5,8-13,16-17H2,1H3
InChIKeyGBDDTHCTROTZFU-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.98
Rot. Bonds9

About 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one

1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one (PubChem CID 147606318) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
PubChem CID147606318
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
SMILESCN(c1cc(C(=O)CCC(O)CCC2Cc3ccccc3C2)ccn1)C1CCCC1
InChIInChI=1S/C26H34N2O2/c1-28(23-8-4-5-9-23)26-18-22(14-15-27-26)25(30)13-12-24(29)11-10-19-16-20-6-2-3-7-21(20)17-19/h2-3,6-7,14-15,18-19,23-24,29H,4-5,8-13,16-17H2,1H3
InChIKeyGBDDTHCTROTZFU-UHFFFAOYSA-N
XLogP4.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one (CID 147606318) is 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one is CN(c1cc(C(=O)CCC(O)CCC2Cc3ccccc3C2)ccn1)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The InChIKey is GBDDTHCTROTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-28(23-8-4-5-9-23)26-18-22(14-15-27-26)25(30)13-12-24(29)11-10-19-16-20-6-2-3-7-21(20)17-19/h2-3,6-7,14-15,18-19,23-24,29H,4-5,8-13,16-17H2,1H3.
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one has a molecular weight of 406.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one is sourced from PubChem (CID 147606318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).