(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C21H18N2O2 — CID 97213427

IUPAC(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccnc1)[C@H]1COc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21(18-14-25-19-11-5-4-10-17(18)19)23-20(15-7-2-1-3-8-15)16-9-6-12-22-13-16/h1-13,18,20H,14H2,(H,23,24)/t18-,20-/m0/s1
InChIKeyMHQUVRVIBDUCHP-ICSRJNTNSA-N
MW330.39 g/mol
LogP3.46
Rot. Bonds4

About (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213427) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213427
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccnc1)[C@H]1COc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21(18-14-25-19-11-5-4-10-17(18)19)23-20(15-7-2-1-3-8-15)16-9-6-12-22-13-16/h1-13,18,20H,14H2,(H,23,24)/t18-,20-/m0/s1
InChIKeyMHQUVRVIBDUCHP-ICSRJNTNSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213431
(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97214646
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 75371335
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213427) is (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@H]1COc2ccccc21.
What is the InChIKey of (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is MHQUVRVIBDUCHP-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(18-14-25-19-11-5-4-10-17(18)19)23-20(15-7-2-1-3-8-15)16-9-6-12-22-13-16/h1-13,18,20H,14H2,(H,23,24)/t18-,20-/m0/s1.
What are the key properties of (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).