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

C15H22ClN3O2 — CID 114681717

IUPAC[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCC(O)C(C)C2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-3-5-17-14-8-11(7-13(16)18-14)15(21)19-6-4-12(20)10(2)9-19/h7-8,10,12,20H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyKDXUZYUOSMSMOL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.40
Rot. Bonds4

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

[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114681717) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114681717
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCC(O)C(C)C2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-3-5-17-14-8-11(7-13(16)18-14)15(21)19-6-4-12(20)10(2)9-19/h7-8,10,12,20H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyKDXUZYUOSMSMOL-UHFFFAOYSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
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]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
CID 102964734
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
(2-tert-butyl-6-chloro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678233
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66369750
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114681692
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114681717) is [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CCCNc1cc(C(=O)N2CCC(O)C(C)C2)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is KDXUZYUOSMSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-5-17-14-8-11(7-13(16)18-14)15(21)19-6-4-12(20)10(2)9-19/h7-8,10,12,20H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114681717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).