1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone

C14H21N3O2 — CID 62966972

IUPAC1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCOCC2)n1
InChIInChI=1S/C14H21N3O2/c1-2-7-15-13-6-3-5-12(16-13)14(18)17-8-4-10-19-11-9-17/h3,5-6H,2,4,7-11H2,1H3,(H,15,16)
InChIKeyYBQLTBIHMSNFGI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds4

About 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone

1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 62966972) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID62966972
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCOCC2)n1
InChIInChI=1S/C14H21N3O2/c1-2-7-15-13-6-3-5-12(16-13)14(18)17-8-4-10-19-11-9-17/h3,5-6H,2,4,7-11H2,1H3,(H,15,16)
InChIKeyYBQLTBIHMSNFGI-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 81109407
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 79180595
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone (CID 62966972) is 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCCOCC2)n1.
What is the InChIKey of 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is YBQLTBIHMSNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-7-15-13-6-3-5-12(16-13)14(18)17-8-4-10-19-11-9-17/h3,5-6H,2,4,7-11H2,1H3,(H,15,16).
What are the key properties of 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone?
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62966972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).