N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H17N5O7 — CID 110526242

IUPACN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O7/c1-8-10(15(23)19-16(24)18-8)5-14(22)20-17-7-9-4-11(21(25)26)13(28-3)6-12(9)27-2/h4,6-7H,5H2,1-3H3,(H,20,22)(H2,18,19,23,24)/b17-7-
InChIKeyBVZUCWUACBVJQN-IDUWFGFVSA-N
MW391.34 g/mol
LogP-0.01
Rot. Bonds7

About N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 110526242) has the molecular formula C16H17N5O7 and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID110526242
Molecular FormulaC16H17N5O7
Molecular Weight391.34 g/mol
Exact Mass391.11
IUPAC NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O7/c1-8-10(15(23)19-16(24)18-8)5-14(22)20-17-7-9-4-11(21(25)26)13(28-3)6-12(9)27-2/h4,6-7H,5H2,1-3H3,(H,20,22)(H2,18,19,23,24)/b17-7-
InChIKeyBVZUCWUACBVJQN-IDUWFGFVSA-N
XLogP-0.01
TPSA168.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526401
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
1-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508738
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanamide
CID 110510966
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526228
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526131
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526129
4-chloro-N-[2-[2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3330849
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126371292
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526472

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 110526242) is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BVZUCWUACBVJQN-IDUWFGFVSA-N. The full InChI is InChI=1S/C16H17N5O7/c1-8-10(15(23)19-16(24)18-8)5-14(22)20-17-7-9-4-11(21(25)26)13(28-3)6-12(9)27-2/h4,6-7H,5H2,1-3H3,(H,20,22)(H2,18,19,23,24)/b17-7-.
What are the key properties of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 391.34 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 110526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).