(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone

C13H18ClN3O — CID 55041866

IUPAC(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2nc(N)ccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-2-9-5-7-17(8-6-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3,(H2,15,16)
InChIKeyICBTVODMFHWRRF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.58
Rot. Bonds2

About (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone

(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 55041866) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID55041866
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2nc(N)ccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-2-9-5-7-17(8-6-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3,(H2,15,16)
InChIKeyICBTVODMFHWRRF-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(6-amino-3-chloro-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155508
(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673826
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(6-amino-3-chloro-2-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162057
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358190
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
(6-amino-3-chloro-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62329720
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(6-amino-3-chloro-2-pyridinyl)methanone
CID 82752072

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone (CID 55041866) is (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2nc(N)ccc2Cl)CC1.
What is the InChIKey of (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is ICBTVODMFHWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-9-5-7-17(8-6-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3,(H2,15,16).
What are the key properties of (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 55041866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).