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

C25H28N4O3 — CID 91668918

IUPACN-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCc4ccccn4)c3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-18(28-19(2)30)20-6-8-23(9-7-20)32-24-11-14-29(16-24)22-10-13-27-25(15-22)31-17-21-5-3-4-12-26-21/h3-10,12-13,15,18,24H,11,14,16-17H2,1-2H3,(H,28,30)/t18-,24+/m0/s1
InChIKeyRPOMHWMSEPOWSW-MHECFPHRSA-N
MW432.52 g/mol
LogP3.91
Rot. Bonds8

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

N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668918) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668918
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCc4ccccn4)c3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-18(28-19(2)30)20-6-8-23(9-7-20)32-24-11-14-29(16-24)22-10-13-27-25(15-22)31-17-21-5-3-4-12-26-21/h3-10,12-13,15,18,24H,11,14,16-17H2,1-2H3,(H,28,30)/t18-,24+/m0/s1
InChIKeyRPOMHWMSEPOWSW-MHECFPHRSA-N
XLogP3.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668918) is N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCc4ccccn4)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is RPOMHWMSEPOWSW-MHECFPHRSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18(28-19(2)30)20-6-8-23(9-7-20)32-24-11-14-29(16-24)22-10-13-27-25(15-22)31-17-21-5-3-4-12-26-21/h3-10,12-13,15,18,24H,11,14,16-17H2,1-2H3,(H,28,30)/t18-,24+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).