N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide

C17H21N3O2 — CID 82031878

IUPACN-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCc1cccn(CCCCC(=O)Nc2ccccc2N)c1=O
InChIInChI=1S/C17H21N3O2/c1-13-7-6-12-20(17(13)22)11-5-4-10-16(21)19-15-9-3-2-8-14(15)18/h2-3,6-9,12H,4-5,10-11,18H2,1H3,(H,19,21)
InChIKeyZRXCQYUVCFEGGD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.55
Rot. Bonds6

About N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide

N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide (PubChem CID 82031878) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
PubChem CID82031878
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCc1cccn(CCCCC(=O)Nc2ccccc2N)c1=O
InChIInChI=1S/C17H21N3O2/c1-13-7-6-12-20(17(13)22)11-5-4-10-16(21)19-15-9-3-2-8-14(15)18/h2-3,6-9,12H,4-5,10-11,18H2,1H3,(H,19,21)
InChIKeyZRXCQYUVCFEGGD-UHFFFAOYSA-N
XLogP2.55
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
CID 114650377
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172291
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-amino-4-chlorophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172766
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide?
The IUPAC name of N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide (CID 82031878) is N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide?
The canonical SMILES for N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide is Cc1cccn(CCCCC(=O)Nc2ccccc2N)c1=O.
What is the InChIKey of N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide?
The InChIKey is ZRXCQYUVCFEGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-7-6-12-20(17(13)22)11-5-4-10-16(21)19-15-9-3-2-8-14(15)18/h2-3,6-9,12H,4-5,10-11,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide?
N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide is sourced from PubChem (CID 82031878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).