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

C19H23N3O — CID 109231844

IUPACazepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-10-6-1-2-7-11-22)17-12-18(15-20-14-17)21-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,21H,1-2,6-7,10-11,13H2
InChIKeyRBGKONWLFHHCJS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.71
Rot. Bonds4

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

azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone (PubChem CID 109231844) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
PubChem CID109231844
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Nameazepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-10-6-1-2-7-11-22)17-12-18(15-20-14-17)21-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,21H,1-2,6-7,10-11,13H2
InChIKeyRBGKONWLFHHCJS-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227012
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone (CID 109231844) is azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCc2ccccc2)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone?
The InChIKey is RBGKONWLFHHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(22-10-6-1-2-7-11-22)17-12-18(15-20-14-17)21-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,21H,1-2,6-7,10-11,13H2.
What are the key properties of azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone?
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109231844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).