2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide

C11H9Cl2N3O — CID 3079845

IUPAC2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)c1c(Cl)nc2ncccc2c1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16(2)11(17)7-8(12)6-4-3-5-14-10(6)15-9(7)13/h3-5H,1-2H3
InChIKeyCQMGNNQYOXTBJD-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.64
Rot. Bonds1

About 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide

2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide (PubChem CID 3079845) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide
PubChem CID3079845
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)c1c(Cl)nc2ncccc2c1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16(2)11(17)7-8(12)6-4-3-5-14-10(6)15-9(7)13/h3-5H,1-2H3
InChIKeyCQMGNNQYOXTBJD-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide (CID 3079845) is 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide is CN(C)C(=O)c1c(Cl)nc2ncccc2c1Cl.
What is the InChIKey of 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is CQMGNNQYOXTBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16(2)11(17)7-8(12)6-4-3-5-14-10(6)15-9(7)13/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide?
2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3079845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).