2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide

C20H17Cl2N3O2 — CID 127028420

IUPAC2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-9-8-15(11-17(16)22)24-19(26)13-25-10-4-7-18(20(25)27)23-12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,24,26)
InChIKeyJTGFABUXBXPPIN-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.41
Rot. Bonds6

About 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide

2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 127028420) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID127028420
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-9-8-15(11-17(16)22)24-19(26)13-25-10-4-7-18(20(25)27)23-12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,24,26)
InChIKeyJTGFABUXBXPPIN-UHFFFAOYSA-N
XLogP4.41
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide (CID 127028420) is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide is O=C(Cn1cccc(NCc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is JTGFABUXBXPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-16-9-8-15(11-17(16)22)24-19(26)13-25-10-4-7-18(20(25)27)23-12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,24,26).
What are the key properties of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide?
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 402.28 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 127028420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).