N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide

C21H23N5O5 — CID 43046546

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C
InChIInChI=1S/C21H23N5O5/c1-11-7-6-8-16(12(11)2)31-13(3)18(27)23-24-19(28)14-9-15-17(22-10-14)25(4)21(30)26(5)20(15)29/h6-10,13H,1-5H3,(H,23,27)(H,24,28)
InChIKeyZFAUIEHTFNUWSW-UHFFFAOYSA-N
MW425.45 g/mol
LogP0.48
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 43046546) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID43046546
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C
InChIInChI=1S/C21H23N5O5/c1-11-7-6-8-16(12(11)2)31-13(3)18(27)23-24-19(28)14-9-15-17(22-10-14)25(4)21(30)26(5)20(15)29/h6-10,13H,1-5H3,(H,23,27)(H,24,28)
InChIKeyZFAUIEHTFNUWSW-UHFFFAOYSA-N
XLogP0.48
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46698275
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46586439
(2S)-2-(2,3-dimethylphenoxy)-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]propanehydrazide
CID 9088849
4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24634651
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide
CID 51155324

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide (CID 43046546) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is ZFAUIEHTFNUWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-11-7-6-8-16(12(11)2)31-13(3)18(27)23-24-19(28)14-9-15-17(22-10-14)25(4)21(30)26(5)20(15)29/h6-10,13H,1-5H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 425.45 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 43046546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).