[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

C15H22ClN3O2 — CID 102969355

IUPAC[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCCC(OC)C2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-11(8-13(16)18-14)15(20)19-7-4-5-12(10-19)21-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyBFUIPDSGHDMXBE-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds5

About [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102969355) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102969355
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCCC(OC)C2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-11(8-13(16)18-14)15(20)19-7-4-5-12(10-19)21-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyBFUIPDSGHDMXBE-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681717
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532700
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
CID 75469364
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955074
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66369750
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
CID 102964734

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (CID 102969355) is [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is CCCNc1cc(C(=O)N2CCCC(OC)C2)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is BFUIPDSGHDMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-11(8-13(16)18-14)15(20)19-7-4-5-12(10-19)21-2/h8-9,12H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102969355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).