[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

C14H21N3O2 — CID 105069932

IUPAC[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H21N3O2/c1-3-16-13-9-15-6-5-12(13)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyVMFZMHMEXNTPFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds3

About [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 105069932) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID105069932
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H21N3O2/c1-3-16-13-9-15-6-5-12(13)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyVMFZMHMEXNTPFO-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 105071079
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
(2,5-dimethylpiperidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070518

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 105069932) is [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is CCNc1cnccc1C(=O)N1CCCOC(C)C1.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is VMFZMHMEXNTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-13-9-15-6-5-12(13)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 105069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).