[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone

C19H23N3O2 — CID 154784086

IUPAC[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CC(N(C)C)CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-21(2)15-11-10-14-7-4-5-8-16(14)22(13-15)19(23)18-17(24-3)9-6-12-20-18/h4-9,12,15H,10-11,13H2,1-3H3
InChIKeyHFTQKCWXORPBAW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds3

About [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone

[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone (PubChem CID 154784086) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone
PubChem CID154784086
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CC(N(C)C)CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-21(2)15-11-10-14-7-4-5-8-16(14)22(13-15)19(23)18-17(24-3)9-6-12-20-18/h4-9,12,15H,10-11,13H2,1-3H3
InChIKeyHFTQKCWXORPBAW-UHFFFAOYSA-N
XLogP2.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone (CID 154784086) is [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone is COc1cccnc1C(=O)N1CC(N(C)C)CCc2ccccc21.
What is the InChIKey of [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is HFTQKCWXORPBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)15-11-10-14-7-4-5-8-16(14)22(13-15)19(23)18-17(24-3)9-6-12-20-18/h4-9,12,15H,10-11,13H2,1-3H3.
What are the key properties of [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 154784086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).