N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

C24H29N3O3 — CID 42248211

IUPACN-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)CC)CC2
InChIInChI=1S/C24H29N3O3/c1-3-20(28)27-14-11-24(12-15-27)19-10-6-5-9-18(19)21(22(24)30-4-2)26-23(29)17-8-7-13-25-16-17/h5-10,13,16,21-22H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyPYSSIWNFLYQYJE-YADHBBJMSA-N
MW407.51 g/mol
LogP3.24
Rot. Bonds5

About N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (PubChem CID 42248211) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
PubChem CID42248211
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)CC)CC2
InChIInChI=1S/C24H29N3O3/c1-3-20(28)27-14-11-24(12-15-27)19-10-6-5-9-18(19)21(22(24)30-4-2)26-23(29)17-8-7-13-25-16-17/h5-10,13,16,21-22H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyPYSSIWNFLYQYJE-YADHBBJMSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (CID 42248211) is N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)CC)CC2.
What is the InChIKey of N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The InChIKey is PYSSIWNFLYQYJE-YADHBBJMSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-20(28)27-14-11-24(12-15-27)19-10-6-5-9-18(19)21(22(24)30-4-2)26-23(29)17-8-7-13-25-16-17/h5-10,13,16,21-22H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42248211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).