N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C23H25N5O4 — CID 75414956

IUPACN,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cnc2c1
InChIInChI=1S/C23H25N5O4/c1-16-7-8-28-20(13-16)24-14-19(23(28)31)22(30)26(2)15-21(29)25-17-3-5-18(6-4-17)27-9-11-32-12-10-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyGIQXQIGFPICFQI-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.55
Rot. Bonds5

About N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 75414956) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID75414956
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cnc2c1
InChIInChI=1S/C23H25N5O4/c1-16-7-8-28-20(13-16)24-14-19(23(28)31)22(30)26(2)15-21(29)25-17-3-5-18(6-4-17)27-9-11-32-12-10-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyGIQXQIGFPICFQI-UHFFFAOYSA-N
XLogP1.55
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328411
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
N,2,5-trimethyl-1-(2-methylphenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrole-3-carboxamide
CID 55347966
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754799
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 78861625
1-(4-fluorophenyl)-N,3,5-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 55380653

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 75414956) is N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cnc2c1.
What is the InChIKey of N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GIQXQIGFPICFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-16-7-8-28-20(13-16)24-14-19(23(28)31)22(30)26(2)15-21(29)25-17-3-5-18(6-4-17)27-9-11-32-12-10-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 75414956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).