N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide

C23H19F3N6O2 — CID 167511856

IUPACN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(O)C(F)(F)F)n4)cnc3C)cc2cn1
InChIInChI=1S/C23H19F3N6O2/c1-12-16(13-6-14-10-30-20(27-2)8-19(14)29-9-13)7-15(11-28-12)31-22(34)18-5-3-4-17(32-18)21(33)23(24,25)26/h3-11,21,33H,1-2H3,(H,27,30)(H,31,34)
InChIKeyYDEIRQOOOLAZJL-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.28
Rot. Bonds5

About N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide

N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 167511856) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
PubChem CID167511856
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC NameN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(O)C(F)(F)F)n4)cnc3C)cc2cn1
InChIInChI=1S/C23H19F3N6O2/c1-12-16(13-6-14-10-30-20(27-2)8-19(14)29-9-13)7-15(11-28-12)31-22(34)18-5-3-4-17(32-18)21(33)23(24,25)26/h3-11,21,33H,1-2H3,(H,27,30)(H,31,34)
InChIKeyYDEIRQOOOLAZJL-UHFFFAOYSA-N
XLogP4.28
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide (CID 167511856) is N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(O)C(F)(F)F)n4)cnc3C)cc2cn1.
What is the InChIKey of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is YDEIRQOOOLAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-12-16(13-6-14-10-30-20(27-2)8-19(14)29-9-13)7-15(11-28-12)31-22(34)18-5-3-4-17(32-18)21(33)23(24,25)26/h3-11,21,33H,1-2H3,(H,27,30)(H,31,34).
What are the key properties of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide?
N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167511856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).