5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide

C16H21N3O — CID 104683446

IUPAC5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
SMILESCc1cc(NC(=O)C(C)CCCN)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11(6-5-9-17)16(20)19-15-10-12(2)18-14-8-4-3-7-13(14)15/h3-4,7-8,10-11H,5-6,9,17H2,1-2H3,(H,18,19,20)
InChIKeyYFPDUVYBSSRGIS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds5

About 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide

5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide (PubChem CID 104683446) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
PubChem CID104683446
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
SMILESCc1cc(NC(=O)C(C)CCCN)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11(6-5-9-17)16(20)19-15-10-12(2)18-14-8-4-3-7-13(14)15/h3-4,7-8,10-11H,5-6,9,17H2,1-2H3,(H,18,19,20)
InChIKeyYFPDUVYBSSRGIS-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide (CID 104683446) is 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide is Cc1cc(NC(=O)C(C)CCCN)c2ccccc2n1.
What is the InChIKey of 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide?
The InChIKey is YFPDUVYBSSRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(6-5-9-17)16(20)19-15-10-12(2)18-14-8-4-3-7-13(14)15/h3-4,7-8,10-11H,5-6,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide?
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide has a molecular weight of 271.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide is sourced from PubChem (CID 104683446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).