4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide

C22H23N3O3 — CID 44583288

IUPAC4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2cccnc21
InChIInChI=1S/C22H23N3O3/c26-18-14-22(28-19-7-4-10-23-20(18)19)8-11-25(12-9-22)21(27)24-17-13-16(17)15-5-2-1-3-6-15/h1-7,10,16-17H,8-9,11-14H2,(H,24,27)/t16-,17+/m1/s1
InChIKeyOORIVESIQGRNJV-SJORKVTESA-N
MW377.44 g/mol
LogP3.15
Rot. Bonds2

About 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide

4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide (PubChem CID 44583288) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
PubChem CID44583288
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2cccnc21
InChIInChI=1S/C22H23N3O3/c26-18-14-22(28-19-7-4-10-23-20(18)19)8-11-25(12-9-22)21(27)24-17-13-16(17)15-5-2-1-3-6-15/h1-7,10,16-17H,8-9,11-14H2,(H,24,27)/t16-,17+/m1/s1
InChIKeyOORIVESIQGRNJV-SJORKVTESA-N
XLogP3.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide (CID 44583288) is 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2cccnc21.
What is the InChIKey of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is OORIVESIQGRNJV-SJORKVTESA-N. The full InChI is InChI=1S/C22H23N3O3/c26-18-14-22(28-19-7-4-10-23-20(18)19)8-11-25(12-9-22)21(27)24-17-13-16(17)15-5-2-1-3-6-15/h1-7,10,16-17H,8-9,11-14H2,(H,24,27)/t16-,17+/m1/s1.
What are the key properties of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).