N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C16H18ClN3O2 — CID 8556360

IUPACN-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-20(10-12-5-3-6-13(9-12)22-2)11-15(21)19-14-7-4-8-18-16(14)17/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyCXFGNCNCEWFREZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.81
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8556360) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8556360
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-20(10-12-5-3-6-13(9-12)22-2)11-15(21)19-14-7-4-8-18-16(14)17/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyCXFGNCNCEWFREZ-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 8558761
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834157
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676287
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 8556360) is N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)Nc2cccnc2Cl)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is CXFGNCNCEWFREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(10-12-5-3-6-13(9-12)22-2)11-15(21)19-14-7-4-8-18-16(14)17/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8556360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).