N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

C22H20F3N5O2 — CID 146604971

IUPACN-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCN1c2ccc(-c3cncc(CNC(=O)c4cnc(C(F)(F)F)cn4)c3)cc2CCC1O
InChIInChI=1S/C22H20F3N5O2/c1-30-18-4-2-14(7-15(18)3-5-20(30)31)16-6-13(8-26-10-16)9-29-21(32)17-11-28-19(12-27-17)22(23,24)25/h2,4,6-8,10-12,20,31H,3,5,9H2,1H3,(H,29,32)
InChIKeyNNSMMZIBHWFWDF-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.19
Rot. Bonds4

About N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 146604971) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID146604971
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCN1c2ccc(-c3cncc(CNC(=O)c4cnc(C(F)(F)F)cn4)c3)cc2CCC1O
InChIInChI=1S/C22H20F3N5O2/c1-30-18-4-2-14(7-15(18)3-5-20(30)31)16-6-13(8-26-10-16)9-29-21(32)17-11-28-19(12-27-17)22(23,24)25/h2,4,6-8,10-12,20,31H,3,5,9H2,1H3,(H,29,32)
InChIKeyNNSMMZIBHWFWDF-UHFFFAOYSA-N
XLogP3.19
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 146604971) is N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is CN1c2ccc(-c3cncc(CNC(=O)c4cnc(C(F)(F)F)cn4)c3)cc2CCC1O.
What is the InChIKey of N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is NNSMMZIBHWFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-30-18-4-2-14(7-15(18)3-5-20(30)31)16-6-13(8-26-10-16)9-29-21(32)17-11-28-19(12-27-17)22(23,24)25/h2,4,6-8,10-12,20,31H,3,5,9H2,1H3,(H,29,32).
What are the key properties of N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146604971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).