1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide

C25H25N3O3 — CID 68723140

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)CCO5)CC3)cc(C)c2C)cn1
InChIInChI=1S/C25H25N3O3/c1-15-12-21(27-23(16(15)2)18-4-7-22(30-3)26-14-18)28-24(29)25(9-10-25)19-5-6-20-17(13-19)8-11-31-20/h4-7,12-14H,8-11H2,1-3H3,(H,27,28,29)
InChIKeyQYGNLWCMHOCDFS-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 68723140) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID68723140
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)CCO5)CC3)cc(C)c2C)cn1
InChIInChI=1S/C25H25N3O3/c1-15-12-21(27-23(16(15)2)18-4-7-22(30-3)26-14-18)28-24(29)25(9-10-25)19-5-6-20-17(13-19)8-11-31-20/h4-7,12-14H,8-11H2,1-3H3,(H,27,28,29)
InChIKeyQYGNLWCMHOCDFS-UHFFFAOYSA-N
XLogP4.37
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 68723140) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide is COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)CCO5)CC3)cc(C)c2C)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is QYGNLWCMHOCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-15-12-21(27-23(16(15)2)18-4-7-22(30-3)26-14-18)28-24(29)25(9-10-25)19-5-6-20-17(13-19)8-11-31-20/h4-7,12-14H,8-11H2,1-3H3,(H,27,28,29).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(6-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68723140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).