2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide

C18H20ClN3O3 — CID 113180325

IUPAC2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H20ClN3O3/c1-12-8-16(17(25-3)9-15(12)19)22(13(2)23)11-18(24)21-10-14-4-6-20-7-5-14/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyPUKHHTSYCQESCE-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.72
Rot. Bonds6

About 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113180325) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113180325
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H20ClN3O3/c1-12-8-16(17(25-3)9-15(12)19)22(13(2)23)11-18(24)21-10-14-4-6-20-7-5-14/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyPUKHHTSYCQESCE-UHFFFAOYSA-N
XLogP2.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113134445
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)acetamide
CID 113180390
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113180325) is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)NCc1ccncc1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PUKHHTSYCQESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-8-16(17(25-3)9-15(12)19)22(13(2)23)11-18(24)21-10-14-4-6-20-7-5-14/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113180325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).