[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone

C16H25N3O — CID 104641489

IUPAC[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(CC)CC2)nc1
InChIInChI=1S/C16H25N3O/c1-3-13-6-5-10-19(11-9-13)16(20)15-8-7-14(12-18-15)17-4-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3
InChIKeyWWNGCFIDMFLMOH-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds4

About [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone

[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone (PubChem CID 104641489) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
PubChem CID104641489
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(CC)CC2)nc1
InChIInChI=1S/C16H25N3O/c1-3-13-6-5-10-19(11-9-13)16(20)15-8-7-14(12-18-15)17-4-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3
InChIKeyWWNGCFIDMFLMOH-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone?
The IUPAC name of [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone (CID 104641489) is [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone.
What is the SMILES notation for [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone?
The canonical SMILES for [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone is CCNc1ccc(C(=O)N2CCCC(CC)CC2)nc1.
What is the InChIKey of [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone?
The InChIKey is WWNGCFIDMFLMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-6-5-10-19(11-9-13)16(20)15-8-7-14(12-18-15)17-4-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3.
What are the key properties of [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone?
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104641489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).