N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide

C17H20ClN3O2 — CID 97089206

IUPACN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)[C@@H](C)c2cccnc2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-12(13-5-4-8-19-10-13)21(2)11-17(22)20-14-6-7-16(23-3)15(18)9-14/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyZOPJAOJGHBMITK-LBPRGKRZSA-N
MW333.82 g/mol
LogP3.38
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 97089206) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID97089206
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)[C@@H](C)c2cccnc2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-12(13-5-4-8-19-10-13)21(2)11-17(22)20-14-6-7-16(23-3)15(18)9-14/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyZOPJAOJGHBMITK-LBPRGKRZSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912902
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9047521
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3,4-dimethoxyphenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78901140
N-(3-chloro-4-fluorophenyl)-N'-methyl-N'-(1-pyridin-3-ylethyl)butanediamide
CID 50962204
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide (CID 97089206) is N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide is COc1ccc(NC(=O)CN(C)[C@@H](C)c2cccnc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is ZOPJAOJGHBMITK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(13-5-4-8-19-10-13)21(2)11-17(22)20-14-6-7-16(23-3)15(18)9-14/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 97089206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).