(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide

C21H26N4O2 — CID 97401341

IUPAC(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc2O1
InChIInChI=1S/C21H26N4O2/c1-15(2)24-19(26)18-14-21(16-6-3-4-7-17(16)27-18)8-12-25(13-9-21)20-22-10-5-11-23-20/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyRENOVRFRGKJENN-GOSISDBHSA-N
MW366.47 g/mol
LogP2.69
Rot. Bonds3

About (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide

(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide (PubChem CID 97401341) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
PubChem CID97401341
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc2O1
InChIInChI=1S/C21H26N4O2/c1-15(2)24-19(26)18-14-21(16-6-3-4-7-17(16)27-18)8-12-25(13-9-21)20-22-10-5-11-23-20/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyRENOVRFRGKJENN-GOSISDBHSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The IUPAC name of (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide (CID 97401341) is (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide.
What is the SMILES notation for (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The canonical SMILES for (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide is CC(C)NC(=O)[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc2O1.
What is the InChIKey of (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The InChIKey is RENOVRFRGKJENN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(2)24-19(26)18-14-21(16-6-3-4-7-17(16)27-18)8-12-25(13-9-21)20-22-10-5-11-23-20/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 97401341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).