4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide

C18H16F3N5O2 — CID 134799826

IUPAC4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(-n2c(=O)c(C(=O)NCC(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C18H16F3N5O2/c1-25(2)11-5-7-12(8-6-11)26-15-13(4-3-9-22-15)24-14(17(26)28)16(27)23-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyMRXKJMWBPKRJCI-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.14
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide

4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134799826) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134799826
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(-n2c(=O)c(C(=O)NCC(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C18H16F3N5O2/c1-25(2)11-5-7-12(8-6-11)26-15-13(4-3-9-22-15)24-14(17(26)28)16(27)23-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyMRXKJMWBPKRJCI-UHFFFAOYSA-N
XLogP2.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide (CID 134799826) is 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide is CN(C)c1ccc(-n2c(=O)c(C(=O)NCC(F)(F)F)nc3cccnc32)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is MRXKJMWBPKRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-25(2)11-5-7-12(8-6-11)26-15-13(4-3-9-22-15)24-14(17(26)28)16(27)23-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,23,27).
What are the key properties of 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-3-oxo-N-(2,2,2-trifluoroethyl)pyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134799826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).