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

C13H18ClN3O2 — CID 62186716

IUPAC[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCC(CO)CC2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-15-12-7-10(6-11(14)16-12)13(19)17-4-2-9(8-18)3-5-17/h6-7,9,18H,2-5,8H2,1H3,(H,15,16)
InChIKeyABSRNRPGTJQDDP-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.62
Rot. Bonds3

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

[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62186716) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62186716
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCC(CO)CC2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-15-12-7-10(6-11(14)16-12)13(19)17-4-2-9(8-18)3-5-17/h6-7,9,18H,2-5,8H2,1H3,(H,15,16)
InChIKeyABSRNRPGTJQDDP-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

Computed Properties (RDKit)

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

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
CID 75469364
[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953552
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
[2-chloro-6-(methylamino)-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213227
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 62174892
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 62186716) is [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is CNc1cc(C(=O)N2CCC(CO)CC2)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ABSRNRPGTJQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15-12-7-10(6-11(14)16-12)13(19)17-4-2-9(8-18)3-5-17/h6-7,9,18H,2-5,8H2,1H3,(H,15,16).
What are the key properties of [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[2-chloro-6-(methylamino)-4-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 [2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62186716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).