2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide

C17H19Cl2N3O2 — CID 127029042

IUPAC2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-2-7-20-16(23)11-22-8-3-4-15(17(22)24)21-10-12-5-6-13(18)14(19)9-12/h3-6,8-9,21H,2,7,10-11H2,1H3,(H,20,23)
InChIKeyLESDOUYKHVFDCZ-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.29
Rot. Bonds7

About 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide

2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 127029042) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID127029042
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-2-7-20-16(23)11-22-8-3-4-15(17(22)24)21-10-12-5-6-13(18)14(19)9-12/h3-6,8-9,21H,2,7,10-11H2,1H3,(H,20,23)
InChIKeyLESDOUYKHVFDCZ-UHFFFAOYSA-N
XLogP3.29
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (CID 127029042) is 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is LESDOUYKHVFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-2-7-20-16(23)11-22-8-3-4-15(17(22)24)21-10-12-5-6-13(18)14(19)9-12/h3-6,8-9,21H,2,7,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 368.26 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 127029042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).