1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide

C24H28N6O3 — CID 66959360

IUPAC1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCCC(C(N)=O)C3)c2c1=O
InChIInChI=1S/C24H28N6O3/c1-28-15-26-20-13-19(16-4-6-18(7-5-16)29-9-11-33-12-10-29)27-23(21(20)24(28)32)30-8-2-3-17(14-30)22(25)31/h4-7,13,15,17H,2-3,8-12,14H2,1H3,(H2,25,31)
InChIKeyOKGWYFIJNQNQCB-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.53
Rot. Bonds4

About 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide

1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide (PubChem CID 66959360) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide
PubChem CID66959360
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCCC(C(N)=O)C3)c2c1=O
InChIInChI=1S/C24H28N6O3/c1-28-15-26-20-13-19(16-4-6-18(7-5-16)29-9-11-33-12-10-29)27-23(21(20)24(28)32)30-8-2-3-17(14-30)22(25)31/h4-7,13,15,17H,2-3,8-12,14H2,1H3,(H2,25,31)
InChIKeyOKGWYFIJNQNQCB-UHFFFAOYSA-N
XLogP1.53
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide (CID 66959360) is 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCCC(C(N)=O)C3)c2c1=O.
What is the InChIKey of 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide?
The InChIKey is OKGWYFIJNQNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-28-15-26-20-13-19(16-4-6-18(7-5-16)29-9-11-33-12-10-29)27-23(21(20)24(28)32)30-8-2-3-17(14-30)22(25)31/h4-7,13,15,17H,2-3,8-12,14H2,1H3,(H2,25,31).
What are the key properties of 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide?
1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 66959360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).