4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine

C21H30N4 — CID 124941832

IUPAC4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
SMILESCN1CCN(C2CCCCC2)C[C@H](Cc2ccnc3cccnc23)C1
InChIInChI=1S/C21H30N4/c1-24-12-13-25(19-6-3-2-4-7-19)16-17(15-24)14-18-9-11-22-20-8-5-10-23-21(18)20/h5,8-11,17,19H,2-4,6-7,12-16H2,1H3/t17-/m1/s1
InChIKeyAQDIUEVXWJDGBS-QGZVFWFLSA-N
MW338.50 g/mol
LogP3.37
Rot. Bonds3

About 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine

4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine (PubChem CID 124941832) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
PubChem CID124941832
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
SMILESCN1CCN(C2CCCCC2)C[C@H](Cc2ccnc3cccnc23)C1
InChIInChI=1S/C21H30N4/c1-24-12-13-25(19-6-3-2-4-7-19)16-17(15-24)14-18-9-11-22-20-8-5-10-23-21(18)20/h5,8-11,17,19H,2-4,6-7,12-16H2,1H3/t17-/m1/s1
InChIKeyAQDIUEVXWJDGBS-QGZVFWFLSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The IUPAC name of 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine (CID 124941832) is 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine.
What is the SMILES notation for 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The canonical SMILES for 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine is CN1CCN(C2CCCCC2)C[C@H](Cc2ccnc3cccnc23)C1.
What is the InChIKey of 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The InChIKey is AQDIUEVXWJDGBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4/c1-24-12-13-25(19-6-3-2-4-7-19)16-17(15-24)14-18-9-11-22-20-8-5-10-23-21(18)20/h5,8-11,17,19H,2-4,6-7,12-16H2,1H3/t17-/m1/s1.
What are the key properties of 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine has a molecular weight of 338.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine is sourced from PubChem (CID 124941832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).