N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C23H22F3N5O — CID 70808275

IUPACN-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1
InChIInChI=1S/C23H22F3N5O/c1-14-11-15(2)27-20(12-14)29-22(32)31-10-9-30(3)19-8-7-18(28-21(19)31)16-5-4-6-17(13-16)23(24,25)26/h4-8,11-13H,9-10H2,1-3H3,(H,27,29,32)
InChIKeyGQWWSCACCFPNOS-UHFFFAOYSA-N
MW441.46 g/mol
LogP5.27
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 70808275) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID70808275
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1
InChIInChI=1S/C23H22F3N5O/c1-14-11-15(2)27-20(12-14)29-22(32)31-10-9-30(3)19-8-7-18(28-21(19)31)16-5-4-6-17(13-16)23(24,25)26/h4-8,11-13H,9-10H2,1-3H3,(H,27,29,32)
InChIKeyGQWWSCACCFPNOS-UHFFFAOYSA-N
XLogP5.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 70808275) is N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is Cc1cc(C)nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is GQWWSCACCFPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c1-14-11-15(2)27-20(12-14)29-22(32)31-10-9-30(3)19-8-7-18(28-21(19)31)16-5-4-6-17(13-16)23(24,25)26/h4-8,11-13H,9-10H2,1-3H3,(H,27,29,32).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 70808275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).