N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C24H27N5O4 — CID 86288529

IUPACN-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)C2)N1
InChIInChI=1S/C24H27N5O4/c30-22-8-7-21(27-22)23(31)28-11-9-20(15-28)33-19-5-3-18(4-6-19)26-24(32)29-13-17(14-29)16-2-1-10-25-12-16/h1-6,10,12,17,20-21H,7-9,11,13-15H2,(H,26,32)(H,27,30)/t20-,21-/m1/s1
InChIKeyVQKHZWYKIHFPKC-NHCUHLMSSA-N
MW449.51 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 86288529) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID86288529
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)C2)N1
InChIInChI=1S/C24H27N5O4/c30-22-8-7-21(27-22)23(31)28-11-9-20(15-28)33-19-5-3-18(4-6-19)26-24(32)29-13-17(14-29)16-2-1-10-25-12-16/h1-6,10,12,17,20-21H,7-9,11,13-15H2,(H,26,32)(H,27,30)/t20-,21-/m1/s1
InChIKeyVQKHZWYKIHFPKC-NHCUHLMSSA-N
XLogP1.97
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 86288529) is N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is O=C1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)C2)N1.
What is the InChIKey of N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is VQKHZWYKIHFPKC-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-22-8-7-21(27-22)23(31)28-11-9-20(15-28)33-19-5-3-18(4-6-19)26-24(32)29-13-17(14-29)16-2-1-10-25-12-16/h1-6,10,12,17,20-21H,7-9,11,13-15H2,(H,26,32)(H,27,30)/t20-,21-/m1/s1.
What are the key properties of N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 86288529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).