azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone

C15H22ClN3O — CID 62173335

IUPACazocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncc(C(=O)N2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-2-17-14-13(16)10-12(11-18-14)15(20)19-8-6-4-3-5-7-9-19/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeySIUYULBJJXPFLJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds3

About azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone (PubChem CID 62173335) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
PubChem CID62173335
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Nameazocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncc(C(=O)N2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-2-17-14-13(16)10-12(11-18-14)15(20)19-8-6-4-3-5-7-9-19/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeySIUYULBJJXPFLJ-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 64693525
[5-chloro-6-(ethylamino)-3-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458893
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone?
The IUPAC name of azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone (CID 62173335) is azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone?
The canonical SMILES for azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone is CCNc1ncc(C(=O)N2CCCCCCC2)cc1Cl.
What is the InChIKey of azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone?
The InChIKey is SIUYULBJJXPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-17-14-13(16)10-12(11-18-14)15(20)19-8-6-4-3-5-7-9-19/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone?
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone has a molecular weight of 295.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62173335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).