1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

C21H15N7O2 — CID 7620340

IUPAC1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H15N7O2/c29-20(27-18-16-17(24-11-23-16)25-12-26-18)15-9-14-7-4-8-22-19(14)28(21(15)30)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,24,25,26,27,29)
InChIKeyUOIUQXUKNDEOSJ-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.36
Rot. Bonds4

About 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 7620340) has the molecular formula C21H15N7O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID7620340
Molecular FormulaC21H15N7O2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H15N7O2/c29-20(27-18-16-17(24-11-23-16)25-12-26-18)15-9-14-7-4-8-22-19(14)28(21(15)30)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,24,25,26,27,29)
InChIKeyUOIUQXUKNDEOSJ-UHFFFAOYSA-N
XLogP2.36
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620011
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
CID 43996302
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide (CID 7620340) is 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide is O=C(Nc1ncnc2nc[nH]c12)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is UOIUQXUKNDEOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2/c29-20(27-18-16-17(24-11-23-16)25-12-26-18)15-9-14-7-4-8-22-19(14)28(21(15)30)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,24,25,26,27,29).
What are the key properties of 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).