7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide

C22H23N3O4 — CID 138046587

IUPAC7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide
SMILESCc1cccc2c(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)Cc3cccnc3)coc12
InChIInChI=1S/C22H23N3O4/c1-14-4-2-6-16-17(12-29-21(14)16)22(27)25-18-7-9-28-13-19(18)24-20(26)10-15-5-3-8-23-11-15/h2-6,8,11-12,18-19H,7,9-10,13H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m1/s1
InChIKeyZZVVJOZZQPORIT-MOPGFXCFSA-N
MW393.44 g/mol
LogP2.38
Rot. Bonds5

About 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide

7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide (PubChem CID 138046587) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide
PubChem CID138046587
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide
SMILESCc1cccc2c(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)Cc3cccnc3)coc12
InChIInChI=1S/C22H23N3O4/c1-14-4-2-6-16-17(12-29-21(14)16)22(27)25-18-7-9-28-13-19(18)24-20(26)10-15-5-3-8-23-11-15/h2-6,8,11-12,18-19H,7,9-10,13H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m1/s1
InChIKeyZZVVJOZZQPORIT-MOPGFXCFSA-N
XLogP2.38
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-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

N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139
N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
CID 133264780
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide
CID 166360733
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]isoquinoline-5-carboxamide
CID 91777302
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide (CID 138046587) is 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide is Cc1cccc2c(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)Cc3cccnc3)coc12.
What is the InChIKey of 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide?
The InChIKey is ZZVVJOZZQPORIT-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-4-2-6-16-17(12-29-21(14)16)22(27)25-18-7-9-28-13-19(18)24-20(26)10-15-5-3-8-23-11-15/h2-6,8,11-12,18-19H,7,9-10,13H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m1/s1.
What are the key properties of 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide?
7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 138046587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).