4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile

C16H10Cl2N4O — CID 134453215

IUPAC4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile
SMILESCc1cc(=O)c2c(N)cncc2n1-c1c(Cl)cc(C#N)cc1Cl
InChIInChI=1S/C16H10Cl2N4O/c1-8-2-14(23)15-12(20)6-21-7-13(15)22(8)16-10(17)3-9(5-19)4-11(16)18/h2-4,6-7H,20H2,1H3
InChIKeyMBDKQRVNWRBRJK-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.45
Rot. Bonds1

About 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile

4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile (PubChem CID 134453215) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile.

Molecular Properties

Compound Name4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile
PubChem CID134453215
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile
SMILESCc1cc(=O)c2c(N)cncc2n1-c1c(Cl)cc(C#N)cc1Cl
InChIInChI=1S/C16H10Cl2N4O/c1-8-2-14(23)15-12(20)6-21-7-13(15)22(8)16-10(17)3-9(5-19)4-11(16)18/h2-4,6-7H,20H2,1H3
InChIKeyMBDKQRVNWRBRJK-UHFFFAOYSA-N
XLogP3.45
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile?
The IUPAC name of 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile (CID 134453215) is 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile.
What is the SMILES notation for 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile?
The canonical SMILES for 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile is Cc1cc(=O)c2c(N)cncc2n1-c1c(Cl)cc(C#N)cc1Cl.
What is the InChIKey of 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile?
The InChIKey is MBDKQRVNWRBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c1-8-2-14(23)15-12(20)6-21-7-13(15)22(8)16-10(17)3-9(5-19)4-11(16)18/h2-4,6-7H,20H2,1H3.
What are the key properties of 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile?
4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile has a molecular weight of 345.19 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methyl-4-oxo-1,7-naphthyridin-1-yl)-3,5-dichlorobenzonitrile is sourced from PubChem (CID 134453215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).