1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C20H24N2O3 — CID 97466843

IUPAC1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCc1cc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)c(C)o1
InChIInChI=1S/C20H24N2O3/c1-13-11-17(14(2)25-13)20(24)21-9-7-16-5-6-19(23)22(12-15-3-4-15)18(16)8-10-21/h5-6,11,15H,3-4,7-10,12H2,1-2H3
InChIKeyMXVKUWQLLMJSGK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.71
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97466843) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97466843
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCc1cc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)c(C)o1
InChIInChI=1S/C20H24N2O3/c1-13-11-17(14(2)25-13)20(24)21-9-7-16-5-6-19(23)22(12-15-3-4-15)18(16)8-10-21/h5-6,11,15H,3-4,7-10,12H2,1-2H3
InChIKeyMXVKUWQLLMJSGK-UHFFFAOYSA-N
XLogP2.71
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one 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

1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466847
7-(6-methylpyridine-3-carbonyl)-1-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 155871441
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
3-[[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940591
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 110855212
methyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]sulfonylacetate
CID 71809163
[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97458977
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(6S)-10-(cyclopropylmethyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195951
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3703063
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
(2,5-dimethylfuran-3-yl)-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 121021012

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97466843) is 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is Cc1cc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)c(C)o1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is MXVKUWQLLMJSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-11-17(14(2)25-13)20(24)21-9-7-16-5-6-19(23)22(12-15-3-4-15)18(16)8-10-21/h5-6,11,15H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97466843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).