(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

C20H22N2O3 — CID 42360420

IUPAC(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCOC1)C2
InChIInChI=1S/C20H22N2O3/c1-13-4-3-8-21-18(13)17-6-2-5-14-10-16(25-19(14)17)11-22-20(23)15-7-9-24-12-15/h2-6,8,15-16H,7,9-12H2,1H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyQUEYEVMQTGTAKL-JKSUJKDBSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds4

About (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 42360420) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
PubChem CID42360420
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCOC1)C2
InChIInChI=1S/C20H22N2O3/c1-13-4-3-8-21-18(13)17-6-2-5-14-10-16(25-19(14)17)11-22-20(23)15-7-9-24-12-15/h2-6,8,15-16H,7,9-12H2,1H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyQUEYEVMQTGTAKL-JKSUJKDBSA-N
XLogP2.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
CID 45167343
N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 26345598
(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26332714
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 45242894
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (CID 42360420) is (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCOC1)C2.
What is the InChIKey of (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is QUEYEVMQTGTAKL-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-4-3-8-21-18(13)17-6-2-5-14-10-16(25-19(14)17)11-22-20(23)15-7-9-24-12-15/h2-6,8,15-16H,7,9-12H2,1H3,(H,22,23)/t15-,16+/m0/s1.
What are the key properties of (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 42360420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).