N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide

C15H12F3N5O4 — CID 3515891

IUPACN-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(=O)N2
InChIInChI=1S/C15H12F3N5O4/c1-22-9-8(11(25)23(2)13(22)27)14(12(26)20-9,15(16,17)18)21-10(24)7-4-3-5-19-6-7/h3-6H,1-2H3,(H,20,26)(H,21,24)
InChIKeyDMTMCVGDJNYKPD-UHFFFAOYSA-N
MW383.29 g/mol
LogP-0.38
Rot. Bonds2

About N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide

N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide (PubChem CID 3515891) has the molecular formula C15H12F3N5O4 and a molecular weight of 383.29 g/mol. Its IUPAC name is N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
PubChem CID3515891
Molecular FormulaC15H12F3N5O4
Molecular Weight383.29 g/mol
Exact Mass383.08
IUPAC NameN-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(=O)N2
InChIInChI=1S/C15H12F3N5O4/c1-22-9-8(11(25)23(2)13(22)27)14(12(26)20-9,15(16,17)18)21-10(24)7-4-3-5-19-6-7/h3-6H,1-2H3,(H,20,26)(H,21,24)
InChIKeyDMTMCVGDJNYKPD-UHFFFAOYSA-N
XLogP-0.38
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide (CID 3515891) is N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide is Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(=O)N2.
What is the InChIKey of N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide?
The InChIKey is DMTMCVGDJNYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O4/c1-22-9-8(11(25)23(2)13(22)27)14(12(26)20-9,15(16,17)18)21-10(24)7-4-3-5-19-6-7/h3-6H,1-2H3,(H,20,26)(H,21,24).
What are the key properties of N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide?
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide has a molecular weight of 383.29 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3515891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).