N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide

C17H17N5O4 — CID 72863128

IUPACN,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H17N5O4/c1-20(16(24)14-9-15(23)22(3)17(25)21(14)2)10-11-8-13(19-26-11)12-6-4-5-7-18-12/h4-9H,10H2,1-3H3
InChIKeyGZYDQZBGPGGYFP-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.41
Rot. Bonds4

About N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide

N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 72863128) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
PubChem CID72863128
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H17N5O4/c1-20(16(24)14-9-15(23)22(3)17(25)21(14)2)10-11-8-13(19-26-11)12-6-4-5-7-18-12/h4-9H,10H2,1-3H3
InChIKeyGZYDQZBGPGGYFP-UHFFFAOYSA-N
XLogP0.41
TPSA103.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide (CID 72863128) is N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide is CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is GZYDQZBGPGGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-20(16(24)14-9-15(23)22(3)17(25)21(14)2)10-11-8-13(19-26-11)12-6-4-5-7-18-12/h4-9H,10H2,1-3H3.
What are the key properties of N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide?
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 72863128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).