N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide

C17H19N3O2 — CID 113034101

IUPACN-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)C3CCC3)nc2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-3-6-13(10-15)19-14-8-9-16(18-11-14)20-17(21)12-4-2-5-12/h3,6-12,19H,2,4-5H2,1H3,(H,18,20,21)
InChIKeyJSNNKHHKLCRBPI-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.57
Rot. Bonds5

About N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide

N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113034101) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113034101
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)C3CCC3)nc2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-3-6-13(10-15)19-14-8-9-16(18-11-14)20-17(21)12-4-2-5-12/h3,6-12,19H,2,4-5H2,1H3,(H,18,20,21)
InChIKeyJSNNKHHKLCRBPI-UHFFFAOYSA-N
XLogP3.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide (CID 113034101) is N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide is COc1cccc(Nc2ccc(NC(=O)C3CCC3)nc2)c1.
What is the InChIKey of N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is JSNNKHHKLCRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-7-3-6-13(10-15)19-14-8-9-16(18-11-14)20-17(21)12-4-2-5-12/h3,6-12,19H,2,4-5H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide?
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113034101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).