N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide

C16H19N3O — CID 115273765

IUPACN-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C16H19N3O/c1-12-5-2-3-6-13(12)7-4-8-16(20)19-15-10-9-14(17)11-18-15/h2-3,5-6,9-11H,4,7-8,17H2,1H3,(H,18,19,20)
InChIKeyPJQFZLBAXOTAAD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds5

About N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide

N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide (PubChem CID 115273765) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
PubChem CID115273765
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C16H19N3O/c1-12-5-2-3-6-13(12)7-4-8-16(20)19-15-10-9-14(17)11-18-15/h2-3,5-6,9-11H,4,7-8,17H2,1H3,(H,18,19,20)
InChIKeyPJQFZLBAXOTAAD-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
CID 115273754
N-(5-amino-2-pyridinyl)-4-(5-methylfuran-2-yl)butanamide
CID 115273771
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
N-(5-amino-2-pyridinyl)-6-methylheptanamide
CID 115273760
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
4-(2-methylphenyl)butanamide
CID 22103596
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
N-(5-amino-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
CID 115273730
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide (CID 115273765) is N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(=O)Nc1ccc(N)cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide?
The InChIKey is PJQFZLBAXOTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-2-3-6-13(12)7-4-8-16(20)19-15-10-9-14(17)11-18-15/h2-3,5-6,9-11H,4,7-8,17H2,1H3,(H,18,19,20).
What are the key properties of N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide?
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide has a molecular weight of 269.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 115273765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).