N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide

C19H23N3O4 — CID 113036526

IUPACN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-9-14(10-16(25-2)18(15)26-3)21-13-7-8-17(20-11-13)22-19(23)12-5-4-6-12/h7-12,21H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyVDGDMNVFETYAIX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.59
Rot. Bonds7

About N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide

N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113036526) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113036526
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-9-14(10-16(25-2)18(15)26-3)21-13-7-8-17(20-11-13)22-19(23)12-5-4-6-12/h7-12,21H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyVDGDMNVFETYAIX-UHFFFAOYSA-N
XLogP3.59
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide (CID 113036526) is N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide is COc1cc(Nc2ccc(NC(=O)C3CCC3)nc2)cc(OC)c1OC.
What is the InChIKey of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is VDGDMNVFETYAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-9-14(10-16(25-2)18(15)26-3)21-13-7-8-17(20-11-13)22-19(23)12-5-4-6-12/h7-12,21H,4-6H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113036526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).