N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide

C18H21N3O — CID 113032282

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O/c1-12-5-3-6-13(2)17(12)20-15-9-10-16(19-11-15)21-18(22)14-7-4-8-14/h3,5-6,9-11,14,20H,4,7-8H2,1-2H3,(H,19,21,22)
InChIKeyNUIPWWVVMOVRBM-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.18
Rot. Bonds4

About N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide

N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113032282) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113032282
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O/c1-12-5-3-6-13(2)17(12)20-15-9-10-16(19-11-15)21-18(22)14-7-4-8-14/h3,5-6,9-11,14,20H,4,7-8H2,1-2H3,(H,19,21,22)
InChIKeyNUIPWWVVMOVRBM-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide (CID 113032282) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide is Cc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)nc1.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is NUIPWWVVMOVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-5-3-6-13(2)17(12)20-15-9-10-16(19-11-15)21-18(22)14-7-4-8-14/h3,5-6,9-11,14,20H,4,7-8H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 295.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113032282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).