N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide

C19H24ClN5O5 — CID 29298871

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24ClN5O5/c1-10(2)8-23(18(27)12-5-6-13(20)14(7-12)25(29)30)15-16(21)24(9-11(3)4)19(28)22-17(15)26/h5-7,10-11H,8-9,21H2,1-4H3,(H,22,26,28)
InChIKeyAZLSIWUDORJBGV-UHFFFAOYSA-N
MW437.88 g/mol
LogP2.64
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide (PubChem CID 29298871) has the molecular formula C19H24ClN5O5 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
PubChem CID29298871
Molecular FormulaC19H24ClN5O5
Molecular Weight437.88 g/mol
Exact Mass437.15
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24ClN5O5/c1-10(2)8-23(18(27)12-5-6-13(20)14(7-12)25(29)30)15-16(21)24(9-11(3)4)19(28)22-17(15)26/h5-7,10-11H,8-9,21H2,1-4H3,(H,22,26,28)
InChIKeyAZLSIWUDORJBGV-UHFFFAOYSA-N
XLogP2.64
TPSA144.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 29388385
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-methoxy-3-nitrobenzamide
CID 26211500
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4847773
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-(2-methylpropyl)benzamide
CID 4825510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30137077
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide
CID 55623424
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-(2-nitrophenyl)acetamide
CID 43008125
N-(2-amino-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
CID 61052640
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
CID 26211447
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide (CID 29298871) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide is CC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide?
The InChIKey is AZLSIWUDORJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O5/c1-10(2)8-23(18(27)12-5-6-13(20)14(7-12)25(29)30)15-16(21)24(9-11(3)4)19(28)22-17(15)26/h5-7,10-11H,8-9,21H2,1-4H3,(H,22,26,28).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide has a molecular weight of 437.88 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide is sourced from PubChem (CID 29298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).