[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C13H18ClN3O — CID 60561390

IUPAC[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-15-12-11(14)8-10(9-16-12)13(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyYGQKLPGABCPOIF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.79
Rot. Bonds3

About [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 60561390) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID60561390
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-15-12-11(14)8-10(9-16-12)13(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyYGQKLPGABCPOIF-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.79
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]-(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 [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 60561390) is [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is CCNc1ncc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is YGQKLPGABCPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-15-12-11(14)8-10(9-16-12)13(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of [5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 267.76 g/mol, XLogP of 2.79, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 60561390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).