2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide

C13H20ClN3O2 — CID 65114648

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C13H20ClN3O2/c1-4-13(2,19)9-16-12(18)8-17(3)11-6-5-10(14)7-15-11/h5-7,19H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyPMEQJGBQBXXTDM-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.45
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114648) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114648
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C13H20ClN3O2/c1-4-13(2,19)9-16-12(18)8-17(3)11-6-5-10(14)7-15-11/h5-7,19H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyPMEQJGBQBXXTDM-UHFFFAOYSA-N
XLogP1.45
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]-2-ethylbutanoic acid
CID 79813313
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755798
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
ethyl 4-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]butanoate
CID 61344211
methyl 3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]propanoate
CID 47363961
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 61343893
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868265
(2R)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]pentanoic acid
CID 107563108
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
CID 43540473
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 51108150
butyl 2-[(5-chloro-2-pyridinyl)-methylamino]acetate
CID 78968885

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114648) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)CN(C)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is PMEQJGBQBXXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-13(2,19)9-16-12(18)8-17(3)11-6-5-10(14)7-15-11/h5-7,19H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide?
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).