N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide

C18H21N3O — CID 113026538

IUPACN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O/c1-13-5-2-3-6-15(13)11-19-16-9-10-17(20-12-16)21-18(22)14-7-4-8-14/h2-3,5-6,9-10,12,14,19H,4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyHJGZCEBRMLPSQS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.74
Rot. Bonds5

About N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113026538) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113026538
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O/c1-13-5-2-3-6-15(13)11-19-16-9-10-17(20-12-16)21-18(22)14-7-4-8-14/h2-3,5-6,9-10,12,14,19H,4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyHJGZCEBRMLPSQS-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (CID 113026538) is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is Cc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1.
What is the InChIKey of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is HJGZCEBRMLPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-2-3-6-15(13)11-19-16-9-10-17(20-12-16)21-18(22)14-7-4-8-14/h2-3,5-6,9-10,12,14,19H,4,7-8,11H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113026538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).