2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

C16H18ClN3O2 — CID 131945076

IUPAC2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22)
InChIKeyHGJLAOABOGBBIS-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (PubChem CID 131945076) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
PubChem CID131945076
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22)
InChIKeyHGJLAOABOGBBIS-UHFFFAOYSA-N
XLogP2.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 126448162
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 124753177
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid
CID 154911843
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
2-hydroxy-3-[(3-methyl-4-pyridinyl)amino]propanamide
CID 106170708
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (CID 131945076) is 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is Cc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The InChIKey is HGJLAOABOGBBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 131945076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).