N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide

C19H23N3O — CID 113017854

IUPACN-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)14-6-8-16(9-7-14)21-18-11-10-17(12-20-18)22-19(23)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUZVANBXZUQUYGR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.69
Rot. Bonds5

About N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide

N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113017854) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113017854
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)14-6-8-16(9-7-14)21-18-11-10-17(12-20-18)22-19(23)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUZVANBXZUQUYGR-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
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
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide (CID 113017854) is N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide is CC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1.
What is the InChIKey of N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is UZVANBXZUQUYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)14-6-8-16(9-7-14)21-18-11-10-17(12-20-18)22-19(23)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide?
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113017854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).