N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C23H26N6O5 — CID 55582206

IUPACN,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C23H26N6O5/c1-26(14-19(30)24-15-4-6-16(7-5-15)29-10-12-34-13-11-29)22(32)18-9-8-17-20(25-18)27(2)23(33)28(3)21(17)31/h4-9H,10-14H2,1-3H3,(H,24,30)
InChIKeyZEJIOFWEZGXSSP-UHFFFAOYSA-N
MW466.50 g/mol
LogP0.18
Rot. Bonds5

About N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55582206) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55582206
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC NameN,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C23H26N6O5/c1-26(14-19(30)24-15-4-6-16(7-5-15)29-10-12-34-13-11-29)22(32)18-9-8-17-20(25-18)27(2)23(33)28(3)21(17)31/h4-9H,10-14H2,1-3H3,(H,24,30)
InChIKeyZEJIOFWEZGXSSP-UHFFFAOYSA-N
XLogP0.18
TPSA118.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37352007
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 78861625
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133447108
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 75414956
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55582206) is N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is ZEJIOFWEZGXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-26(14-19(30)24-15-4-6-16(7-5-15)29-10-12-34-13-11-29)22(32)18-9-8-17-20(25-18)27(2)23(33)28(3)21(17)31/h4-9H,10-14H2,1-3H3,(H,24,30).
What are the key properties of N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55582206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).