2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

C15H23N5O3 — CID 135880370

IUPAC2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C15H23N5O3/c1-2-4-16-15(22)20-5-3-12-11(10-20)13(21)18-14(17-12)19-6-8-23-9-7-19/h2-10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyIWETYXBJHAORTL-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.08
Rot. Bonds3

About 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 135880370) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID135880370
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C15H23N5O3/c1-2-4-16-15(22)20-5-3-12-11(10-20)13(21)18-14(17-12)19-6-8-23-9-7-19/h2-10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyIWETYXBJHAORTL-UHFFFAOYSA-N
XLogP0.08
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (CID 135880370) is 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is CCCNC(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IWETYXBJHAORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-2-4-16-15(22)20-5-3-12-11(10-20)13(21)18-14(17-12)19-6-8-23-9-7-19/h2-10H2,1H3,(H,16,22)(H,17,18,21).
What are the key properties of 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135880370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).