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

C19H22N2O2 — CID 95769801

IUPAC(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C19H22N2O2/c1-12(2)17(18-13(3)7-6-10-20-18)21-19(22)16-11-14-8-4-5-9-15(14)23-16/h4-10,12,16-17H,11H2,1-3H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyFVFZQZJWNUPJGE-SJORKVTESA-N
MW310.40 g/mol
LogP3.21
Rot. Bonds4

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

(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95769801) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95769801
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C19H22N2O2/c1-12(2)17(18-13(3)7-6-10-20-18)21-19(22)16-11-14-8-4-5-9-15(14)23-16/h4-10,12,16-17H,11H2,1-3H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyFVFZQZJWNUPJGE-SJORKVTESA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95769801) is (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C.
What is the InChIKey of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FVFZQZJWNUPJGE-SJORKVTESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)17(18-13(3)7-6-10-20-18)21-19(22)16-11-14-8-4-5-9-15(14)23-16/h4-10,12,16-17H,11H2,1-3H3,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95769801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).