N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide

C15H16ClN3O3 — CID 113022464

IUPACN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
SMILESCOc1cc(Nc2ccc(NC(C)=O)cn2)c(OC)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-9(20)18-10-4-5-15(17-8-10)19-12-7-13(21-2)11(16)6-14(12)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20)
InChIKeyYGCLZHXHHZRZDF-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.45
Rot. Bonds5

About N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide

N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide (PubChem CID 113022464) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
PubChem CID113022464
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
SMILESCOc1cc(Nc2ccc(NC(C)=O)cn2)c(OC)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-9(20)18-10-4-5-15(17-8-10)19-12-7-13(21-2)11(16)6-14(12)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20)
InChIKeyYGCLZHXHHZRZDF-UHFFFAOYSA-N
XLogP3.45
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-pyridinyl]acetamide
CID 15954890
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865727

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide (CID 113022464) is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide is COc1cc(Nc2ccc(NC(C)=O)cn2)c(OC)cc1Cl.
What is the InChIKey of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide?
The InChIKey is YGCLZHXHHZRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9(20)18-10-4-5-15(17-8-10)19-12-7-13(21-2)11(16)6-14(12)22-3/h4-8H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide?
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide has a molecular weight of 321.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113022464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).