N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

C23H30N6O3 — CID 136681974

IUPACN-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESO=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H30N6O3/c30-21(24-19-5-1-2-6-20(19)28-11-13-32-14-12-28)16-27-10-7-18-17(15-27)22(31)26-23(25-18)29-8-3-4-9-29/h1-2,5-6H,3-4,7-16H2,(H,24,30)(H,25,26,31)
InChIKeyZQZYHNKFXPRVKU-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.20
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 136681974) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID136681974
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESO=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H30N6O3/c30-21(24-19-5-1-2-6-20(19)28-11-13-32-14-12-28)16-27-10-7-18-17(15-27)22(31)26-23(25-18)29-8-3-4-9-29/h1-2,5-6H,3-4,7-16H2,(H,24,30)(H,25,26,31)
InChIKeyZQZYHNKFXPRVKU-UHFFFAOYSA-N
XLogP1.20
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 136681974) is N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is ZQZYHNKFXPRVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c30-21(24-19-5-1-2-6-20(19)28-11-13-32-14-12-28)16-27-10-7-18-17(15-27)22(31)26-23(25-18)29-8-3-4-9-29/h1-2,5-6H,3-4,7-16H2,(H,24,30)(H,25,26,31).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 438.53 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 136681974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).