7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

C23H25N3O — CID 70665321

IUPAC7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C23H25N3O/c1-16-7-12-25-21(13-16)15-27-22-6-3-17(2)26-23(22)20-5-4-18-8-10-24-11-9-19(18)14-20/h3-7,12-14,24H,8-11,15H2,1-2H3
InChIKeyKUVJIFPAOJEBMN-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.03
Rot. Bonds4

About 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 70665321) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID70665321
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C23H25N3O/c1-16-7-12-25-21(13-16)15-27-22-6-3-17(2)26-23(22)20-5-4-18-8-10-24-11-9-19(18)14-20/h3-7,12-14,24H,8-11,15H2,1-2H3
InChIKeyKUVJIFPAOJEBMN-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 70665321) is 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is Cc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is KUVJIFPAOJEBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-7-12-25-21(13-16)15-27-22-6-3-17(2)26-23(22)20-5-4-18-8-10-24-11-9-19(18)14-20/h3-7,12-14,24H,8-11,15H2,1-2H3.
What are the key properties of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 359.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 70665321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).