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

C16H25N3O — CID 109238896

IUPACazepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)15-11-14(12-17-13-15)16(20)19-9-7-5-6-8-10-19/h11-13H,3-10H2,1-2H3
InChIKeyVIDIRZKGVLNMKN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.94
Rot. Bonds4

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

azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone (PubChem CID 109238896) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
PubChem CID109238896
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameazepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)15-11-14(12-17-13-15)16(20)19-9-7-5-6-8-10-19/h11-13H,3-10H2,1-2H3
InChIKeyVIDIRZKGVLNMKN-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
[5-[4-(diethylamino)anilino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230532
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240509
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone (CID 109238896) is azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone is CCN(CC)c1cncc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone?
The InChIKey is VIDIRZKGVLNMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18(4-2)15-11-14(12-17-13-15)16(20)19-9-7-5-6-8-10-19/h11-13H,3-10H2,1-2H3.
What are the key properties of azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone?
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109238896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).