[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone

C16H25N3O2 — CID 116637942

IUPAC[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCNc1cc(C)ncc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C16H25N3O2/c1-3-17-15-9-12(2)18-10-14(15)16(21)19-8-6-4-5-7-13(19)11-20/h9-10,13,20H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyYAFQYWMQMVFLAT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.20
Rot. Bonds4

About [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone

[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116637942) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116637942
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCNc1cc(C)ncc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C16H25N3O2/c1-3-17-15-9-12(2)18-10-14(15)16(21)19-8-6-4-5-7-13(19)11-20/h9-10,13,20H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyYAFQYWMQMVFLAT-UHFFFAOYSA-N
XLogP2.20
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
(4-chloro-6-methyl-3-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634475
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
[4-(ethylamino)-6-methyl-3-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 81237248
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
(2,5-dimethylmorpholin-4-yl)-[4-(ethylamino)-6-methyl-3-pyridinyl]methanone
CID 81242938
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116637942) is [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is CCNc1cc(C)ncc1C(=O)N1CCCCCC1CO.
What is the InChIKey of [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is YAFQYWMQMVFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-15-9-12(2)18-10-14(15)16(21)19-8-6-4-5-7-13(19)11-20/h9-10,13,20H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116637942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).