6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

C23H29N3O2 — CID 130344691

IUPAC6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(C3CC3)c2)[nH]c(=O)c1
InChIInChI=1S/C23H29N3O2/c1-16-15-28-11-10-25(16)20-13-22(24-23(27)14-20)26-9-3-6-21(26)19-5-2-4-18(12-19)17-7-8-17/h2,4-5,12-14,16-17,21H,3,6-11,15H2,1H3,(H,24,27)/t16-,21?/m1/s1
InChIKeyQZNBUZVLVRTGNV-UJONTBEJSA-N
MW379.50 g/mol
LogP3.82
Rot. Bonds4

About 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (PubChem CID 130344691) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
PubChem CID130344691
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(C3CC3)c2)[nH]c(=O)c1
InChIInChI=1S/C23H29N3O2/c1-16-15-28-11-10-25(16)20-13-22(24-23(27)14-20)26-9-3-6-21(26)19-5-2-4-18(12-19)17-7-8-17/h2,4-5,12-14,16-17,21H,3,6-11,15H2,1H3,(H,24,27)/t16-,21?/m1/s1
InChIKeyQZNBUZVLVRTGNV-UJONTBEJSA-N
XLogP3.82
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (CID 130344691) is 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(C3CC3)c2)[nH]c(=O)c1.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The InChIKey is QZNBUZVLVRTGNV-UJONTBEJSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-15-28-11-10-25(16)20-13-22(24-23(27)14-20)26-9-3-6-21(26)19-5-2-4-18(12-19)17-7-8-17/h2,4-5,12-14,16-17,21H,3,6-11,15H2,1H3,(H,24,27)/t16-,21?/m1/s1.
What are the key properties of 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 130344691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).