N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

C18H23N3O — CID 113014815

IUPACN-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-17(22)20-15-9-10-16(19-12-15)21-18(2,3)4/h5-10,12H,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYUNJMNSXEOAPBU-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds4

About N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113014815) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113014815
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-17(22)20-15-9-10-16(19-12-15)21-18(2,3)4/h5-10,12H,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYUNJMNSXEOAPBU-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014791
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113014815) is N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(NC(C)(C)C)nc1.
What is the InChIKey of N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is YUNJMNSXEOAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-17(22)20-15-9-10-16(19-12-15)21-18(2,3)4/h5-10,12H,11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113014815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).