1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane

C22H25N3 — CID 3816989

IUPAC1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
SMILESCc1cccc(C(c2ccc3ccccc3c2)N2CCCNCC2)n1
InChIInChI=1S/C22H25N3/c1-17-6-4-9-21(24-17)22(25-14-5-12-23-13-15-25)20-11-10-18-7-2-3-8-19(18)16-20/h2-4,6-11,16,22-23H,5,12-15H2,1H3
InChIKeyBAKYTJYTJVKUGO-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.93
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane

1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane (PubChem CID 3816989) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
PubChem CID3816989
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
SMILESCc1cccc(C(c2ccc3ccccc3c2)N2CCCNCC2)n1
InChIInChI=1S/C22H25N3/c1-17-6-4-9-21(24-17)22(25-14-5-12-23-13-15-25)20-11-10-18-7-2-3-8-19(18)16-20/h2-4,6-11,16,22-23H,5,12-15H2,1H3
InChIKeyBAKYTJYTJVKUGO-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 5091302
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
1-[(2,4-difluorophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3330393
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
1-[(S)-(6-methyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280805
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210
2-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3398080
2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]quinoline
CID 3756439
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane (CID 3816989) is 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane is Cc1cccc(C(c2ccc3ccccc3c2)N2CCCNCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane?
The InChIKey is BAKYTJYTJVKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-6-4-9-21(24-17)22(25-14-5-12-23-13-15-25)20-11-10-18-7-2-3-8-19(18)16-20/h2-4,6-11,16,22-23H,5,12-15H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane?
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane has a molecular weight of 331.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane is sourced from PubChem (CID 3816989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).