N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C24H31N3O2 — CID 90315370

IUPACN-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C4CCCC4)n3)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-17(25-18(2)28)19-10-12-21(13-11-19)29-22-14-15-27(16-22)24-9-5-8-23(26-24)20-6-3-4-7-20/h5,8-13,17,20,22H,3-4,6-7,14-16H2,1-2H3,(H,25,28)/t17-,22+/m0/s1
InChIKeyXNLDLTSYNOQJMJ-HTAPYJJXSA-N
MW393.53 g/mol
LogP4.59
Rot. Bonds6

About N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315370) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315370
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C4CCCC4)n3)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-17(25-18(2)28)19-10-12-21(13-11-19)29-22-14-15-27(16-22)24-9-5-8-23(26-24)20-6-3-4-7-20/h5,8-13,17,20,22H,3-4,6-7,14-16H2,1-2H3,(H,25,28)/t17-,22+/m0/s1
InChIKeyXNLDLTSYNOQJMJ-HTAPYJJXSA-N
XLogP4.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315370) is N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C4CCCC4)n3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is XNLDLTSYNOQJMJ-HTAPYJJXSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(25-18(2)28)19-10-12-21(13-11-19)29-22-14-15-27(16-22)24-9-5-8-23(26-24)20-6-3-4-7-20/h5,8-13,17,20,22H,3-4,6-7,14-16H2,1-2H3,(H,25,28)/t17-,22+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).