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

C18H20ClN3O3 — CID 113033852

IUPACN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)C2CCOCC2)nc1
InChIInChI=1S/C18H20ClN3O3/c1-24-16-4-2-13(19)10-15(16)21-14-3-5-17(20-11-14)22-18(23)12-6-8-25-9-7-12/h2-5,10-12,21H,6-9H2,1H3,(H,20,22,23)
InChIKeyGSUWNFWCVIIBJW-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.85
Rot. Bonds5

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

N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113033852) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113033852
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)C2CCOCC2)nc1
InChIInChI=1S/C18H20ClN3O3/c1-24-16-4-2-13(19)10-15(16)21-14-3-5-17(20-11-14)22-18(23)12-6-8-25-9-7-12/h2-5,10-12,21H,6-9H2,1H3,(H,20,22,23)
InChIKeyGSUWNFWCVIIBJW-UHFFFAOYSA-N
XLogP3.85
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035088
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide (CID 113033852) is N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)C2CCOCC2)nc1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is GSUWNFWCVIIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-24-16-4-2-13(19)10-15(16)21-14-3-5-17(20-11-14)22-18(23)12-6-8-25-9-7-12/h2-5,10-12,21H,6-9H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.85, 5 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]oxane-4-carboxamide is sourced from PubChem (CID 113033852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).