[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C13H18ClN3O2 — CID 55042294

IUPAC[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-15-11-3-2-10(14)12(16-11)13(19)17-6-4-9(8-18)5-7-17/h2-3,9,18H,4-8H2,1H3,(H,15,16)
InChIKeyOMZYPEZCLIVANR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.62
Rot. Bonds3

About [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 55042294) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID55042294
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-15-11-3-2-10(14)12(16-11)13(19)17-6-4-9(8-18)5-7-17/h2-3,9,18H,4-8H2,1H3,(H,15,16)
InChIKeyOMZYPEZCLIVANR-UHFFFAOYSA-N
XLogP1.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540409
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
CID 62241557
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
CID 79946116
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385
[3-chloro-6-(methylamino)-2-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458869
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890107
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62242899
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 55041866
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 55042294) is [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is CNc1ccc(Cl)c(C(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OMZYPEZCLIVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15-11-3-2-10(14)12(16-11)13(19)17-6-4-9(8-18)5-7-17/h2-3,9,18H,4-8H2,1H3,(H,15,16).
What are the key properties of [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 283.76 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55042294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).