N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide

C18H21N3O — CID 113017402

IUPACN-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C18H21N3O/c1-2-13-6-3-4-9-16(13)21-17-11-10-15(12-19-17)20-18(22)14-7-5-8-14/h3-4,6,9-12,14H,2,5,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyYDIJOMJDECQKNJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.13
Rot. Bonds5

About N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide

N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113017402) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113017402
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C18H21N3O/c1-2-13-6-3-4-9-16(13)21-17-11-10-15(12-19-17)20-18(22)14-7-5-8-14/h3-4,6,9-12,14H,2,5,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyYDIJOMJDECQKNJ-UHFFFAOYSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide (CID 113017402) is N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide is CCc1ccccc1Nc1ccc(NC(=O)C2CCC2)cn1.
What is the InChIKey of N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is YDIJOMJDECQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-13-6-3-4-9-16(13)21-17-11-10-15(12-19-17)20-18(22)14-7-5-8-14/h3-4,6,9-12,14H,2,5,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide?
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 295.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).