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

C24H31N3O3 — CID 91668903

IUPACN-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CCC4)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-6-8-22(9-7-20)30-23-11-13-27(15-23)21-10-12-25-24(14-21)29-16-19-4-3-5-19/h6-10,12,14,17,19,23H,3-5,11,13,15-16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyVWPRVGMJGLVPGK-GAJHUEQPSA-N
MW409.53 g/mol
LogP4.12
Rot. Bonds8

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

N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668903) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668903
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CCC4)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-6-8-22(9-7-20)30-23-11-13-27(15-23)21-10-12-25-24(14-21)29-16-19-4-3-5-19/h6-10,12,14,17,19,23H,3-5,11,13,15-16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyVWPRVGMJGLVPGK-GAJHUEQPSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-[4-[(3R)-1-[2-(2-methylpropoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668892
N-[1-[4-[1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrimidine-5-carboxamide
CID 123846169
N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668918
1-cyano-N-[(1S)-1-[4-[(3R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 163902676
N-[(1S)-1-[4-[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yloxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668902
N-[(1S)-1-[4-[1-(2-pyridin-3-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315523
N-[(1S)-1-[4-[(3R)-1-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668899
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668951
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
N-[(1S)-1-[4-[1-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668621
N-[(1S)-1-[4-[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473406
(3S)-3-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]butanamide
CID 140648530

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668903) is N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CCC4)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is VWPRVGMJGLVPGK-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-6-8-22(9-7-20)30-23-11-13-27(15-23)21-10-12-25-24(14-21)29-16-19-4-3-5-19/h6-10,12,14,17,19,23H,3-5,11,13,15-16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).