(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C30H37FN2O2 — CID 134377596

IUPAC(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@]1(C)C(c2cncc(F)c2)=CC[C@H]1[C@@H]1CCc2cc(C(=O)NC3(CO)CCCC3)ccc2C1
InChIInChI=1S/C30H37FN2O2/c1-3-29(2)26(10-11-27(29)24-16-25(31)18-32-17-24)22-8-6-21-15-23(9-7-20(21)14-22)28(35)33-30(19-34)12-4-5-13-30/h7,9,11,15-18,22,26,34H,3-6,8,10,12-14,19H2,1-2H3,(H,33,35)/t22-,26+,29+/m1/s1
InChIKeyYKIQVLALUOXCOU-DVTKYRPYSA-N
MW476.64 g/mol
LogP5.88
Rot. Bonds6

About (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 134377596) has the molecular formula C30H37FN2O2 and a molecular weight of 476.64 g/mol. Its IUPAC name is (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID134377596
Molecular FormulaC30H37FN2O2
Molecular Weight476.64 g/mol
Exact Mass476.28
IUPAC Name(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@]1(C)C(c2cncc(F)c2)=CC[C@H]1[C@@H]1CCc2cc(C(=O)NC3(CO)CCCC3)ccc2C1
InChIInChI=1S/C30H37FN2O2/c1-3-29(2)26(10-11-27(29)24-16-25(31)18-32-17-24)22-8-6-21-15-23(9-7-20(21)14-22)28(35)33-30(19-34)12-4-5-13-30/h7,9,11,15-18,22,26,34H,3-6,8,10,12-14,19H2,1-2H3,(H,33,35)/t22-,26+,29+/m1/s1
InChIKeyYKIQVLALUOXCOU-DVTKYRPYSA-N
XLogP5.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 134377596) is (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC[C@]1(C)C(c2cncc(F)c2)=CC[C@H]1[C@@H]1CCc2cc(C(=O)NC3(CO)CCCC3)ccc2C1.
What is the InChIKey of (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YKIQVLALUOXCOU-DVTKYRPYSA-N. The full InChI is InChI=1S/C30H37FN2O2/c1-3-29(2)26(10-11-27(29)24-16-25(31)18-32-17-24)22-8-6-21-15-23(9-7-20(21)14-22)28(35)33-30(19-34)12-4-5-13-30/h7,9,11,15-18,22,26,34H,3-6,8,10,12-14,19H2,1-2H3,(H,33,35)/t22-,26+,29+/m1/s1.
What are the key properties of (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S,2S)-2-ethyl-3-(5-fluoro-3-pyridinyl)-2-methylcyclopent-3-en-1-yl]-N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 134377596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).