N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide

C19H23N3O — CID 113017694

IUPACN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C19H23N3O/c1-3-14-7-4-6-13(2)18(14)22-17-11-10-16(12-20-17)21-19(23)15-8-5-9-15/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBEDLSDZJIFUQP-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.43
Rot. Bonds5

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

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113017694) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113017694
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C19H23N3O/c1-3-14-7-4-6-13(2)18(14)22-17-11-10-16(12-20-17)21-19(23)15-8-5-9-15/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBEDLSDZJIFUQP-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide (CID 113017694) is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide is CCc1cccc(C)c1Nc1ccc(NC(=O)C2CCC2)cn1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is OBEDLSDZJIFUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-14-7-4-6-13(2)18(14)22-17-11-10-16(12-20-17)21-19(23)15-8-5-9-15/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113017694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).