N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide

C22H26ClN5O5 — CID 59771064

IUPACN'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC3N(C)C(=O)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C22H26ClN5O5/c1-12-7-8-13(10-14(12)23)11-24-19(30)16-17(29)20(31)28-9-5-6-15(18(28)25-16)27(4)22(33)21(32)26(2)3/h7-8,10,15,29H,5-6,9,11H2,1-4H3,(H,24,30)
InChIKeyFHMHJNJYVZSGOD-UHFFFAOYSA-N
MW475.93 g/mol
LogP1.22
Rot. Bonds4

About N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide

N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide (PubChem CID 59771064) has the molecular formula C22H26ClN5O5 and a molecular weight of 475.93 g/mol. Its IUPAC name is N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide.

Molecular Properties

Compound NameN'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide
PubChem CID59771064
Molecular FormulaC22H26ClN5O5
Molecular Weight475.93 g/mol
Exact Mass475.16
IUPAC NameN'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC3N(C)C(=O)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C22H26ClN5O5/c1-12-7-8-13(10-14(12)23)11-24-19(30)16-17(29)20(31)28-9-5-6-15(18(28)25-16)27(4)22(33)21(32)26(2)3/h7-8,10,15,29H,5-6,9,11H2,1-4H3,(H,24,30)
InChIKeyFHMHJNJYVZSGOD-UHFFFAOYSA-N
XLogP1.22
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide?
The IUPAC name of N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide (CID 59771064) is N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide.
What is the SMILES notation for N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide?
The canonical SMILES for N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide is Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC3N(C)C(=O)C(=O)N(C)C)cc1Cl.
What is the InChIKey of N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide?
The InChIKey is FHMHJNJYVZSGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O5/c1-12-7-8-13(10-14(12)23)11-24-19(30)16-17(29)20(31)28-9-5-6-15(18(28)25-16)27(4)22(33)21(32)26(2)3/h7-8,10,15,29H,5-6,9,11H2,1-4H3,(H,24,30).
What are the key properties of N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide?
N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide has a molecular weight of 475.93 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide is sourced from PubChem (CID 59771064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).