4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C28H27N3O3 — CID 44583287

IUPAC4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1
InChIKeyIQOLDUIYVMZEKG-VWNXMTODSA-N
MW453.54 g/mol
LogP4.81
Rot. Bonds3

About 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 44583287) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID44583287
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1
InChIKeyIQOLDUIYVMZEKG-VWNXMTODSA-N
XLogP4.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.81
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]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 44583287) is 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is IQOLDUIYVMZEKG-VWNXMTODSA-N. The full InChI is InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1.
What are the key properties of 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.81, 3 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]-6-pyridin-4-ylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).