N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide

C16H19N3O2 — CID 115923081

IUPACN-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide
SMILESCOc1cccnc1NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H19N3O2/c1-11(18-16-15(21-3)8-5-9-17-16)13-6-4-7-14(10-13)19-12(2)20/h4-11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyCTULPRQENPFTHL-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.22
Rot. Bonds5

About N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide (PubChem CID 115923081) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide
PubChem CID115923081
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide
SMILESCOc1cccnc1NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H19N3O2/c1-11(18-16-15(21-3)8-5-9-17-16)13-6-4-7-14(10-13)19-12(2)20/h4-11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyCTULPRQENPFTHL-UHFFFAOYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
N-[3-[(1R)-1-[(4-methoxy-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 99854055
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 55585613
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide (CID 115923081) is N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide is COc1cccnc1NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide?
The InChIKey is CTULPRQENPFTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(18-16-15(21-3)8-5-9-17-16)13-6-4-7-14(10-13)19-12(2)20/h4-11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 115923081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).