(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

C23H27N3O2 — CID 97439483

IUPAC(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C23H27N3O2/c1-25(15-19-7-4-5-11-24-19)22(27)21-12-23(16-28-21)20-8-3-2-6-18(20)14-26(23)13-17-9-10-17/h2-8,11,17,21H,9-10,12-16H2,1H3/t21-,23-/m1/s1
InChIKeyMKDJMGBNBBDDLW-FYYLOGMGSA-N
MW377.49 g/mol
LogP2.95
Rot. Bonds5

About (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (PubChem CID 97439483) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
PubChem CID97439483
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C23H27N3O2/c1-25(15-19-7-4-5-11-24-19)22(27)21-12-23(16-28-21)20-8-3-2-6-18(20)14-26(23)13-17-9-10-17/h2-8,11,17,21H,9-10,12-16H2,1H3/t21-,23-/m1/s1
InChIKeyMKDJMGBNBBDDLW-FYYLOGMGSA-N
XLogP2.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439480
2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 134074488
[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 98781466
(2'S,3S)-1-[(4-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440071
2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide
CID 131668676
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389053
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439490
(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493139
5-(4-fluorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656949

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (CID 97439483) is (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1.
What is the InChIKey of (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is MKDJMGBNBBDDLW-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25(15-19-7-4-5-11-24-19)22(27)21-12-23(16-28-21)20-8-3-2-6-18(20)14-26(23)13-17-9-10-17/h2-8,11,17,21H,9-10,12-16H2,1H3/t21-,23-/m1/s1.
What are the key properties of (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 97439483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).