N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide

C21H20ClN3O3 — CID 113019106

IUPACN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-9-7-15(13-18(19)22)24-20-10-8-16(14-23-20)25-21(26)11-12-28-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyWRZNTLCBXSFVBO-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.89
Rot. Bonds8

About N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide (PubChem CID 113019106) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
PubChem CID113019106
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-9-7-15(13-18(19)22)24-20-10-8-16(14-23-20)25-21(26)11-12-28-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyWRZNTLCBXSFVBO-UHFFFAOYSA-N
XLogP4.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chloro-4-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987213
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide (CID 113019106) is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide is COc1ccc(Nc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide?
The InChIKey is WRZNTLCBXSFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-9-7-15(13-18(19)22)24-20-10-8-16(14-23-20)25-21(26)11-12-28-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide?
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide has a molecular weight of 397.86 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113019106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).