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

C14H20ClN3O2 — CID 62165385

IUPAC[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCCNc1ccc(Cl)c(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C14H20ClN3O2/c1-2-7-16-12-4-3-11(15)13(17-12)14(20)18-8-5-10(19)6-9-18/h3-4,10,19H,2,5-9H2,1H3,(H,16,17)
InChIKeyMRKUYRNZJQMAAG-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.15
Rot. Bonds4

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

[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 62165385) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID62165385
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCCNc1ccc(Cl)c(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C14H20ClN3O2/c1-2-7-16-12-4-3-11(15)13(17-12)14(20)18-8-5-10(19)6-9-18/h3-4,10,19H,2,5-9H2,1H3,(H,16,17)
InChIKeyMRKUYRNZJQMAAG-UHFFFAOYSA-N
XLogP2.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62242899
1-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 63000298
4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one
CID 64694781
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967033
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064677
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
CID 62241557
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (CID 62165385) is [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is CCCNc1ccc(Cl)c(C(=O)N2CCC(O)CC2)n1.
What is the InChIKey of [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is MRKUYRNZJQMAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-7-16-12-4-3-11(15)13(17-12)14(20)18-8-5-10(19)6-9-18/h3-4,10,19H,2,5-9H2,1H3,(H,16,17).
What are the key properties of [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 297.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 62165385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).