4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

C23H23N3O — CID 11559501

IUPAC4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCOc1ccc(CN2CCCCN2c2ccc(C#N)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-27-20-11-8-18(9-12-20)17-25-14-4-5-15-26(25)23-13-10-19(16-24)21-6-2-3-7-22(21)23/h2-3,6-13H,4-5,14-15,17H2,1H3
InChIKeyMPGLRIOCVLQDRB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 11559501) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID11559501
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCOc1ccc(CN2CCCCN2c2ccc(C#N)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-27-20-11-8-18(9-12-20)17-25-14-4-5-15-26(25)23-13-10-19(16-24)21-6-2-3-7-22(21)23/h2-3,6-13H,4-5,14-15,17H2,1H3
InChIKeyMPGLRIOCVLQDRB-UHFFFAOYSA-N
XLogP4.74
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11529980
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11716955
4-[2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11552230
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11661437
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
CID 11507918
4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
CID 69020003
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 17456022
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284425
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707
4-(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)naphthalene-1-carbonitrile
CID 129299370
4-[(2S,4R)-4-(methoxymethyl)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707777

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (CID 11559501) is 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is COc1ccc(CN2CCCCN2c2ccc(C#N)c3ccccc23)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is MPGLRIOCVLQDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-27-20-11-8-18(9-12-20)17-25-14-4-5-15-26(25)23-13-10-19(16-24)21-6-2-3-7-22(21)23/h2-3,6-13H,4-5,14-15,17H2,1H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11559501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).