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

C22H23N5O — CID 97400983

IUPAC(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESc1cnc(N2CCC3(CC2)C[C@@H](Nc2cccnc2)c2ccccc2O3)nc1
InChIInChI=1S/C22H23N5O/c1-2-7-20-18(6-1)19(26-17-5-3-10-23-16-17)15-22(28-20)8-13-27(14-9-22)21-24-11-4-12-25-21/h1-7,10-12,16,19,26H,8-9,13-15H2/t19-/m1/s1
InChIKeyVWVRKAYSDCGRCA-LJQANCHMSA-N
MW373.46 g/mol
LogP3.85
Rot. Bonds3

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

(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 97400983) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID97400983
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESc1cnc(N2CCC3(CC2)C[C@@H](Nc2cccnc2)c2ccccc2O3)nc1
InChIInChI=1S/C22H23N5O/c1-2-7-20-18(6-1)19(26-17-5-3-10-23-16-17)15-22(28-20)8-13-27(14-9-22)21-24-11-4-12-25-21/h1-7,10-12,16,19,26H,8-9,13-15H2/t19-/m1/s1
InChIKeyVWVRKAYSDCGRCA-LJQANCHMSA-N
XLogP3.85
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)acetamide;2,2,2-trifluoroacetic acid
CID 155865896
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 43147323
1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 134075744
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
CID 97401005
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 125022560
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842764
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
CID 97401003
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 97083347
2-[1'-(2-ethylbutanoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-pyridin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 155844243

Frequently Asked Questions

What is the IUPAC name of (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 97400983) is (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is c1cnc(N2CCC3(CC2)C[C@@H](Nc2cccnc2)c2ccccc2O3)nc1.
What is the InChIKey of (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is VWVRKAYSDCGRCA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-7-20-18(6-1)19(26-17-5-3-10-23-16-17)15-22(28-20)8-13-27(14-9-22)21-24-11-4-12-25-21/h1-7,10-12,16,19,26H,8-9,13-15H2/t19-/m1/s1.
What are the key properties of (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 373.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 97400983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).