pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone

C21H25N3O — CID 95590504

IUPACpyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCN([C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C21H25N3O/c25-21(19-10-3-4-12-22-19)24-14-6-13-23(15-16-24)20-11-5-8-17-7-1-2-9-18(17)20/h1-4,7,9-10,12,20H,5-6,8,11,13-16H2/t20-/m1/s1
InChIKeyFNJVJFVNLSCXQJ-HXUWFJFHSA-N
MW335.45 g/mol
LogP3.31
Rot. Bonds2

About pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone

pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone (PubChem CID 95590504) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone
PubChem CID95590504
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Namepyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCN([C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C21H25N3O/c25-21(19-10-3-4-12-22-19)24-14-6-13-23(15-16-24)20-11-5-8-17-7-1-2-9-18(17)20/h1-4,7,9-10,12,20H,5-6,8,11,13-16H2/t20-/m1/s1
InChIKeyFNJVJFVNLSCXQJ-HXUWFJFHSA-N
XLogP3.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 87054763
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
[4-(1-phenylpyrrolidin-3-yl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 138382454
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 95235089
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone (CID 95590504) is pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone is O=C(c1ccccn1)N1CCCN([C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone?
The InChIKey is FNJVJFVNLSCXQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(19-10-3-4-12-22-19)24-14-6-13-23(15-16-24)20-11-5-8-17-7-1-2-9-18(17)20/h1-4,7,9-10,12,20H,5-6,8,11,13-16H2/t20-/m1/s1.
What are the key properties of pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone?
pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 95590504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).