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

C22H29N3O3 — CID 91668591

IUPACN-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC(C)C)nc3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)27-22-10-7-19(13-23-22)25-12-11-21(14-25)28-20-8-5-18(6-9-20)16(3)24-17(4)26/h5-10,13,15-16,21H,11-12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyAHHFAZWVJKQJTQ-BJQOMGFOSA-N
MW383.49 g/mol
LogP3.72
Rot. Bonds7

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

N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668591) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668591
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC(C)C)nc3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)27-22-10-7-19(13-23-22)25-12-11-21(14-25)28-20-8-5-18(6-9-20)16(3)24-17(4)26/h5-10,13,15-16,21H,11-12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyAHHFAZWVJKQJTQ-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668591) is N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC(C)C)nc3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is AHHFAZWVJKQJTQ-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)27-22-10-7-19(13-23-22)25-12-11-21(14-25)28-20-8-5-18(6-9-20)16(3)24-17(4)26/h5-10,13,15-16,21H,11-12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-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-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).