N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide

C15H9Cl2N3O — CID 174888346

IUPACN-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide
SMILESO=CNc1cnc2cncc(-c3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2N3O/c16-9-1-2-11(14(17)3-9)13-6-18-7-15-12(13)4-10(5-19-15)20-8-21/h1-8H,(H,20,21)
InChIKeyRWEVUNIGNRNLBY-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.17
Rot. Bonds3

About N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide

N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide (PubChem CID 174888346) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide
PubChem CID174888346
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide
SMILESO=CNc1cnc2cncc(-c3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2N3O/c16-9-1-2-11(14(17)3-9)13-6-18-7-15-12(13)4-10(5-19-15)20-8-21/h1-8H,(H,20,21)
InChIKeyRWEVUNIGNRNLBY-UHFFFAOYSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide (CID 174888346) is N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide is O=CNc1cnc2cncc(-c3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide?
The InChIKey is RWEVUNIGNRNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-9-1-2-11(14(17)3-9)13-6-18-7-15-12(13)4-10(5-19-15)20-8-21/h1-8H,(H,20,21).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide?
N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide has a molecular weight of 318.16 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide is sourced from PubChem (CID 174888346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).