7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C12H11N5O3 — CID 173153366

IUPAC7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1ccno1)CC2
InChIInChI=1S/C12H11N5O3/c13-10(18)11-14-5-7-2-4-17(6-8(7)16-11)12(19)9-1-3-15-20-9/h1,3,5H,2,4,6H2,(H2,13,18)
InChIKeyRGBQVRLBNJIBJE-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.24
Rot. Bonds2

About 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153366) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153366
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1ccno1)CC2
InChIInChI=1S/C12H11N5O3/c13-10(18)11-14-5-7-2-4-17(6-8(7)16-11)12(19)9-1-3-15-20-9/h1,3,5H,2,4,6H2,(H2,13,18)
InChIKeyRGBQVRLBNJIBJE-UHFFFAOYSA-N
XLogP-0.24
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153366) is 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(C(=O)c1ccno1)CC2.
What is the InChIKey of 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is RGBQVRLBNJIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-10(18)11-14-5-7-2-4-17(6-8(7)16-11)12(19)9-1-3-15-20-9/h1,3,5H,2,4,6H2,(H2,13,18).
What are the key properties of 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 273.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).