N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C17H19ClN4O4 — CID 110526004

IUPACN-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc(Cl)c1OCC
InChIInChI=1S/C17H19ClN4O4/c1-4-25-14-8-11(7-12(18)15(14)26-5-2)9-19-22-16(23)13-6-10(3)20-17(24)21-13/h6-9H,4-5H2,1-3H3,(H,22,23)(H,20,21,24)/b19-9+
InChIKeyKYGJISXASZIJMQ-DJKKODMXSA-N
MW378.82 g/mol
LogP2.29
Rot. Bonds7

About N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110526004) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110526004
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC NameN-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc(Cl)c1OCC
InChIInChI=1S/C17H19ClN4O4/c1-4-25-14-8-11(7-12(18)15(14)26-5-2)9-19-22-16(23)13-6-10(3)20-17(24)21-13/h6-9H,4-5H2,1-3H3,(H,22,23)(H,20,21,24)/b19-9+
InChIKeyKYGJISXASZIJMQ-DJKKODMXSA-N
XLogP2.29
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526005
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525702
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110525992
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
6-methyl-2-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrimidine-4-carboxamide
CID 110526032
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
2-amino-N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273
N-[[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4695692

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 110526004) is N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc(Cl)c1OCC.
What is the InChIKey of N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is KYGJISXASZIJMQ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-4-25-14-8-11(7-12(18)15(14)26-5-2)9-19-22-16(23)13-6-10(3)20-17(24)21-13/h6-9H,4-5H2,1-3H3,(H,22,23)(H,20,21,24)/b19-9+.
What are the key properties of N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110526004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).