N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H13ClF3N5O — CID 59826545

IUPACN-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1
InChIInChI=1S/C21H13ClF3N5O/c1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17/h2-10H,1H3,(H,29,31)
InChIKeyFCDFDUCTDXTBEE-UHFFFAOYSA-N
MW443.82 g/mol
LogP5.32
Rot. Bonds3

About N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59826545) has the molecular formula C21H13ClF3N5O and a molecular weight of 443.82 g/mol. Its IUPAC name is N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59826545
Molecular FormulaC21H13ClF3N5O
Molecular Weight443.82 g/mol
Exact Mass443.08
IUPAC NameN-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1
InChIInChI=1S/C21H13ClF3N5O/c1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17/h2-10H,1H3,(H,29,31)
InChIKeyFCDFDUCTDXTBEE-UHFFFAOYSA-N
XLogP5.32
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.82
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59826545) is N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1.
What is the InChIKey of N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FCDFDUCTDXTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5O/c1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17/h2-10H,1H3,(H,29,31).
What are the key properties of N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 443.82 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59826545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).