3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

C26H31N5O4 — CID 25265073

IUPAC3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC2)ccc1-c1ccc(OC2CN(Cc3nc(C(C)C)no3)C2)cn1
InChIInChI=1S/C26H31N5O4/c1-16(2)25-29-24(35-30-25)14-31-12-21(13-31)34-20-5-7-23(27-11-20)22-6-4-18(10-17(22)3)26(32)28-19-8-9-33-15-19/h4-7,10-11,16,19,21H,8-9,12-15H2,1-3H3,(H,28,32)/t19-/m1/s1
InChIKeySNDHZSVSDXJPJJ-LJQANCHMSA-N
MW477.57 g/mol
LogP3.35
Rot. Bonds8

About 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 25265073) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
PubChem CID25265073
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC2)ccc1-c1ccc(OC2CN(Cc3nc(C(C)C)no3)C2)cn1
InChIInChI=1S/C26H31N5O4/c1-16(2)25-29-24(35-30-25)14-31-12-21(13-31)34-20-5-7-23(27-11-20)22-6-4-18(10-17(22)3)26(32)28-19-8-9-33-15-19/h4-7,10-11,16,19,21H,8-9,12-15H2,1-3H3,(H,28,32)/t19-/m1/s1
InChIKeySNDHZSVSDXJPJJ-LJQANCHMSA-N
XLogP3.35
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 25265073) is 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is Cc1cc(C(=O)N[C@@H]2CCOC2)ccc1-c1ccc(OC2CN(Cc3nc(C(C)C)no3)C2)cn1.
What is the InChIKey of 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is SNDHZSVSDXJPJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-16(2)25-29-24(35-30-25)14-31-12-21(13-31)34-20-5-7-23(27-11-20)22-6-4-18(10-17(22)3)26(32)28-19-8-9-33-15-19/h4-7,10-11,16,19,21H,8-9,12-15H2,1-3H3,(H,28,32)/t19-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 477.57 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-oxolan-3-yl]-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 25265073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).