N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide

C23H17Cl2N3O — CID 140502926

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ncccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2N3O/c1-14(17-10-9-16(24)12-20(17)25)27-23(29)19-13-21(15-6-3-2-4-7-15)28-22-18(19)8-5-11-26-22/h2-14H,1H3,(H,27,29)
InChIKeyFWVKGHRBQYKVRE-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.09
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide (PubChem CID 140502926) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide
PubChem CID140502926
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ncccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2N3O/c1-14(17-10-9-16(24)12-20(17)25)27-23(29)19-13-21(15-6-3-2-4-7-15)28-22-18(19)8-5-11-26-22/h2-14H,1H3,(H,27,29)
InChIKeyFWVKGHRBQYKVRE-UHFFFAOYSA-N
XLogP6.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide (CID 140502926) is N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nc2ncccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide?
The InChIKey is FWVKGHRBQYKVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c1-14(17-10-9-16(24)12-20(17)25)27-23(29)19-13-21(15-6-3-2-4-7-15)28-22-18(19)8-5-11-26-22/h2-14H,1H3,(H,27,29).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 140502926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).