3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide

C18H20ClN3O3 — CID 113128502

IUPAC3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1N(CCC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H20ClN3O3/c1-13(23)22(16-11-15(19)3-4-17(16)25-2)10-7-18(24)21-12-14-5-8-20-9-6-14/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,24)
InChIKeyPNNPQXPDUXKSID-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.80
Rot. Bonds7

About 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113128502) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113128502
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1N(CCC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H20ClN3O3/c1-13(23)22(16-11-15(19)3-4-17(16)25-2)10-7-18(24)21-12-14-5-8-20-9-6-14/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,24)
InChIKeyPNNPQXPDUXKSID-UHFFFAOYSA-N
XLogP2.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311
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-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113128502) is 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(Cl)cc1N(CCC(=O)NCc1ccncc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is PNNPQXPDUXKSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13(23)22(16-11-15(19)3-4-17(16)25-2)10-7-18(24)21-12-14-5-8-20-9-6-14/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 361.83 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113128502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).