(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C21H24N2O2 — CID 129323617

IUPAC(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C21H24N2O2/c1-13-10-16-19(11-14(13)2)25-9-7-21(16)12-17(21)20(24)23-15(3)18-6-4-5-8-22-18/h4-6,8,10-11,15,17H,7,9,12H2,1-3H3,(H,23,24)/t15-,17-,21-/m0/s1
InChIKeyCLLSANPUCDJYTN-WJPUGNRLSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds3

About (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 129323617) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID129323617
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C21H24N2O2/c1-13-10-16-19(11-14(13)2)25-9-7-21(16)12-17(21)20(24)23-15(3)18-6-4-5-8-22-18/h4-6,8,10-11,15,17H,7,9,12H2,1-3H3,(H,23,24)/t15-,17-,21-/m0/s1
InChIKeyCLLSANPUCDJYTN-WJPUGNRLSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128970396
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021
N-[(1R)-1-pyridin-2-ylethyl]morpholine-2-carboxamide
CID 81407111
2,2-dimethyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81399588
N-[2-(methylamino)propyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 120827446
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 129323617) is (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is CLLSANPUCDJYTN-WJPUGNRLSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-10-16-19(11-14(13)2)25-9-7-21(16)12-17(21)20(24)23-15(3)18-6-4-5-8-22-18/h4-6,8,10-11,15,17H,7,9,12H2,1-3H3,(H,23,24)/t15-,17-,21-/m0/s1.
What are the key properties of (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 129323617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).