N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide

C20H18ClN3O3 — CID 113033826

IUPACN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cn2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-16-7-3-13(4-8-16)20(25)24-19-10-6-15(12-22-19)23-17-11-14(21)5-9-18(17)27-2/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyQPYFMLDTZVKKKD-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.75
Rot. Bonds6

About N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide

N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113033826) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113033826
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cn2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-16-7-3-13(4-8-16)20(25)24-19-10-6-15(12-22-19)23-17-11-14(21)5-9-18(17)27-2/h3-12,23H,1-2H3,(H,22,24,25)
InChIKeyQPYFMLDTZVKKKD-UHFFFAOYSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide (CID 113033826) is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cn2)cc1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is QPYFMLDTZVKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-16-7-3-13(4-8-16)20(25)24-19-10-6-15(12-22-19)23-17-11-14(21)5-9-18(17)27-2/h3-12,23H,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 383.84 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113033826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).