2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide

C17H15ClN4O — CID 71451583

IUPAC2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1c(Cc2ccccc2)c(Cl)nc2nc(N)c(C(N)=O)cc12
InChIInChI=1S/C17H15ClN4O/c1-9-11(7-10-5-3-2-4-6-10)14(18)21-17-12(9)8-13(16(20)23)15(19)22-17/h2-6,8H,7H2,1H3,(H2,20,23)(H2,19,21,22)
InChIKeyWKGLXFCMLHYIGR-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.86
Rot. Bonds3

About 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide

2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 71451583) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID71451583
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1c(Cc2ccccc2)c(Cl)nc2nc(N)c(C(N)=O)cc12
InChIInChI=1S/C17H15ClN4O/c1-9-11(7-10-5-3-2-4-6-10)14(18)21-17-12(9)8-13(16(20)23)15(19)22-17/h2-6,8H,7H2,1H3,(H2,20,23)(H2,19,21,22)
InChIKeyWKGLXFCMLHYIGR-UHFFFAOYSA-N
XLogP2.86
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide (CID 71451583) is 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide is Cc1c(Cc2ccccc2)c(Cl)nc2nc(N)c(C(N)=O)cc12.
What is the InChIKey of 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is WKGLXFCMLHYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-9-11(7-10-5-3-2-4-6-10)14(18)21-17-12(9)8-13(16(20)23)15(19)22-17/h2-6,8H,7H2,1H3,(H2,20,23)(H2,19,21,22).
What are the key properties of 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide?
2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71451583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).