3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide

C18H20ClN3O2 — CID 113127697

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H20ClN3O2/c1-13-6-7-15(19)11-17(13)22(14(2)23)10-8-18(24)21-12-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,24)
InChIKeyMNIZSRVZNANUEE-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.10
Rot. Bonds6

About 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113127697) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113127697
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H20ClN3O2/c1-13-6-7-15(19)11-17(13)22(14(2)23)10-8-18(24)21-12-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,24)
InChIKeyMNIZSRVZNANUEE-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113125018
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
methyl 4-[acetyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]amino]benzoate
CID 113131495
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 113127697) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccccn1)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is MNIZSRVZNANUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-6-7-15(19)11-17(13)22(14(2)23)10-8-18(24)21-12-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113127697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).