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

C20H22N2O2 — CID 128970311

IUPAC(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C20H22N2O2/c1-13-8-16-18(9-14(13)2)24-7-5-20(16)10-17(20)19(23)22-12-15-4-3-6-21-11-15/h3-4,6,8-9,11,17H,5,7,10,12H2,1-2H3,(H,22,23)/t17-,20-/m0/s1
InChIKeyPWNPQQYFDADMOF-PXNSSMCTSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds3

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

(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 128970311) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID128970311
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C20H22N2O2/c1-13-8-16-18(9-14(13)2)24-7-5-20(16)10-17(20)19(23)22-12-15-4-3-6-21-11-15/h3-4,6,8-9,11,17H,5,7,10,12H2,1-2H3,(H,22,23)/t17-,20-/m0/s1
InChIKeyPWNPQQYFDADMOF-PXNSSMCTSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553
(1'R,4S)-6-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128991449
(1R)-2,2-diphenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 683234
(2S,3S)-5-(2-methylbenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492673
(2S,3R)-5-(3-fluoro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492714
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
(2S,3S)-5-(3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492643
(2S,3R)-5-N-(4-methylphenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492720
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 113216776

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 128970311) is (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCc1cccnc1.
What is the InChIKey of (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is PWNPQQYFDADMOF-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-16-18(9-14(13)2)24-7-5-20(16)10-17(20)19(23)22-12-15-4-3-6-21-11-15/h3-4,6,8-9,11,17H,5,7,10,12H2,1-2H3,(H,22,23)/t17-,20-/m0/s1.
What are the key properties of (1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.06, 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-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 128970311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).