N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide

C14H13Cl2N3O2 — CID 62881177

IUPACN-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-7-11(16)14(12(17)8-9)18-13(21)3-6-19-4-1-10(20)2-5-19/h1-2,4-5,7-8H,3,6,17H2,(H,18,21)
InChIKeyQECZLTBPVXKRDI-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.77
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide

N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide (PubChem CID 62881177) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
PubChem CID62881177
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-7-11(16)14(12(17)8-9)18-13(21)3-6-19-4-1-10(20)2-5-19/h1-2,4-5,7-8H,3,6,17H2,(H,18,21)
InChIKeyQECZLTBPVXKRDI-UHFFFAOYSA-N
XLogP2.77
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 29041816
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28552043
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide (CID 62881177) is N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CCn1ccc(=O)cc1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide?
The InChIKey is QECZLTBPVXKRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-9-7-11(16)14(12(17)8-9)18-13(21)3-6-19-4-1-10(20)2-5-19/h1-2,4-5,7-8H,3,6,17H2,(H,18,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide?
N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide has a molecular weight of 326.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 62881177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).