azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone

C24H25N3O2 — CID 109241297

IUPACazepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2ccccc2Oc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C24H25N3O2/c28-24(27-14-8-1-2-9-15-27)19-16-20(18-25-17-19)26-22-12-6-7-13-23(22)29-21-10-4-3-5-11-21/h3-7,10-13,16-18,26H,1-2,8-9,14-15H2
InChIKeyVXSLMQRQXANAKH-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.63
Rot. Bonds5

About azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone

azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone (PubChem CID 109241297) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
PubChem CID109241297
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Nameazepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2ccccc2Oc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C24H25N3O2/c28-24(27-14-8-1-2-9-15-27)19-16-20(18-25-17-19)26-22-12-6-7-13-23(22)29-21-10-4-3-5-11-21/h3-7,10-13,16-18,26H,1-2,8-9,14-15H2
InChIKeyVXSLMQRQXANAKH-UHFFFAOYSA-N
XLogP5.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
4-[5-(2-methoxyanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230814
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
CID 109228165
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone (CID 109241297) is azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone is O=C(c1cncc(Nc2ccccc2Oc2ccccc2)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone?
The InChIKey is VXSLMQRQXANAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(27-14-8-1-2-9-15-27)19-16-20(18-25-17-19)26-22-12-6-7-13-23(22)29-21-10-4-3-5-11-21/h3-7,10-13,16-18,26H,1-2,8-9,14-15H2.
What are the key properties of azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone?
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone has a molecular weight of 387.48 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109241297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).