N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide

C21H18N6O2 — CID 58094472

IUPACN,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(29)13-3-5-16(6-4-13)25-19-18-14(7-8-24-20(18)28)9-17(26-19)15-10-22-12-23-11-15/h3-12H,1-2H3,(H,24,28)(H,25,26)
InChIKeyDFLDZVZJCUIPTJ-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.83
Rot. Bonds4

About N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide

N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide (PubChem CID 58094472) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide
PubChem CID58094472
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(29)13-3-5-16(6-4-13)25-19-18-14(7-8-24-20(18)28)9-17(26-19)15-10-22-12-23-11-15/h3-12H,1-2H3,(H,24,28)(H,25,26)
InChIKeyDFLDZVZJCUIPTJ-UHFFFAOYSA-N
XLogP2.83
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide (CID 58094472) is N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide is CN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide?
The InChIKey is DFLDZVZJCUIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-27(2)21(29)13-3-5-16(6-4-13)25-19-18-14(7-8-24-20(18)28)9-17(26-19)15-10-22-12-23-11-15/h3-12H,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide?
N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide has a molecular weight of 386.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzamide is sourced from PubChem (CID 58094472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).