N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C14H11N5O4 — CID 7619644

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc2cccnc21
InChIInChI=1S/C14H11N5O4/c1-19-10-7(3-2-4-15-10)5-8(13(19)22)11(20)17-9-6-16-14(23)18-12(9)21/h2-6H,1H3,(H,17,20)(H2,16,18,21,23)
InChIKeyXSXZWGRYVPNCJS-UHFFFAOYSA-N
MW313.27 g/mol
LogP-0.44
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619644) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619644
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc2cccnc21
InChIInChI=1S/C14H11N5O4/c1-19-10-7(3-2-4-15-10)5-8(13(19)22)11(20)17-9-6-16-14(23)18-12(9)21/h2-6H,1H3,(H,17,20)(H2,16,18,21,23)
InChIKeyXSXZWGRYVPNCJS-UHFFFAOYSA-N
XLogP-0.44
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621091
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
N-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619553
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619555
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619615
dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
CID 7619386

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619644) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc2cccnc21.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XSXZWGRYVPNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c1-19-10-7(3-2-4-15-10)5-8(13(19)22)11(20)17-9-6-16-14(23)18-12(9)21/h2-6H,1H3,(H,17,20)(H2,16,18,21,23).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 313.27 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).