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

C22H29N3O3 — CID 91668585

IUPACN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccnc(OC(C)C)c3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)27-22-13-19(9-11-23-22)25-12-10-21(14-25)28-20-7-5-18(6-8-20)16(3)24-17(4)26/h5-9,11,13,15-16,21H,10,12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyDZNCKCVIHPTTNE-BJQOMGFOSA-N
MW383.49 g/mol
LogP3.72
Rot. Bonds7

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

N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668585) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668585
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccnc(OC(C)C)c3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)27-22-13-19(9-11-23-22)25-12-10-21(14-25)28-20-7-5-18(6-8-20)16(3)24-17(4)26/h5-9,11,13,15-16,21H,10,12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyDZNCKCVIHPTTNE-BJQOMGFOSA-N
XLogP3.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(2,6-dimethylphenoxy)-N-(4-pyridinyl)acetamide
CID 838189
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
N-Pyridin-4-yl-2-o-tolyloxy-acetamide
CID 1101312
2-[4-(4-methylphenoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2318546
2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide
CID 2403408

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668585) is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccnc(OC(C)C)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is DZNCKCVIHPTTNE-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)27-22-13-19(9-11-23-22)25-12-10-21(14-25)28-20-7-5-18(6-8-20)16(3)24-17(4)26/h5-9,11,13,15-16,21H,10,12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).