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

C14H20ClN3O — CID 62172223

IUPAC[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCCC(C)C2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-16-13-12(15)7-11(8-17-13)14(19)18-6-4-5-10(2)9-18/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyZGGGBASBMBXGEC-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds3

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

[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 62172223) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID62172223
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCCC(C)C2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-16-13-12(15)7-11(8-17-13)14(19)18-6-4-5-10(2)9-18/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyZGGGBASBMBXGEC-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 23725491
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968832
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 64693525
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 62172223) is [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCNc1ncc(C(=O)N2CCCC(C)C2)cc1Cl.
What is the InChIKey of [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZGGGBASBMBXGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-16-13-12(15)7-11(8-17-13)14(19)18-6-4-5-10(2)9-18/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).