N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide

C19H20N6O5 — CID 55596113

IUPACN'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C19H20N6O5/c1-24-16-13(18(28)25(2)19(24)29)8-9-14(21-16)17(27)23-22-15(26)10-20-11-4-6-12(30-3)7-5-11/h4-9,20H,10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDVSMTPPAVNBRCD-UHFFFAOYSA-N
MW412.41 g/mol
LogP-0.49
Rot. Bonds5

About N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide

N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide (PubChem CID 55596113) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide
PubChem CID55596113
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C19H20N6O5/c1-24-16-13(18(28)25(2)19(24)29)8-9-14(21-16)17(27)23-22-15(26)10-20-11-4-6-12(30-3)7-5-11/h4-9,20H,10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDVSMTPPAVNBRCD-UHFFFAOYSA-N
XLogP-0.49
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide with MolForge

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Related Compounds

N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46589826
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 6494603
3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
CID 18228202
N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55659392
1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide
CID 55568713

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide (CID 55596113) is N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide?
The InChIKey is DVSMTPPAVNBRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-24-16-13(18(28)25(2)19(24)29)8-9-14(21-16)17(27)23-22-15(26)10-20-11-4-6-12(30-3)7-5-11/h4-9,20H,10H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide has a molecular weight of 412.41 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide is sourced from PubChem (CID 55596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).