2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide

C21H21N3O2 — CID 96533957

IUPAC2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
SMILESCOc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-6-5-11-18(19)23-15-20(25)24-21(16-8-3-2-4-9-16)17-10-7-13-22-14-17/h2-14,21,23H,15H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeySLZKWGHCWNMQFK-NRFANRHFSA-N
MW347.42 g/mol
LogP3.41
Rot. Bonds7

About 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide

2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide (PubChem CID 96533957) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
PubChem CID96533957
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
SMILESCOc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-6-5-11-18(19)23-15-20(25)24-21(16-8-3-2-4-9-16)17-10-7-13-22-14-17/h2-14,21,23H,15H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeySLZKWGHCWNMQFK-NRFANRHFSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 51495763
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide (CID 96533957) is 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide is COc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccnc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide?
The InChIKey is SLZKWGHCWNMQFK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-12-6-5-11-18(19)23-15-20(25)24-21(16-8-3-2-4-9-16)17-10-7-13-22-14-17/h2-14,21,23H,15H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide?
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 96533957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).