2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide

C20H19F3N4O2 — CID 71115158

IUPAC2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide
SMILESCc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C(C)C)cc2cn1
InChIInChI=1S/C20H19F3N4O2/c1-10(2)19(29)27-17-6-13-7-24-15(5-12(13)8-26-17)14-9-25-16(4-11(14)3)18(28)20(21,22)23/h4-10,18,28H,1-3H3,(H,26,27,29)/t18-/m1/s1
InChIKeyRULPHTXFTSIQAJ-GOSISDBHSA-N
MW404.39 g/mol
LogP4.19
Rot. Bonds4

About 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide

2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide (PubChem CID 71115158) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide
PubChem CID71115158
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide
SMILESCc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C(C)C)cc2cn1
InChIInChI=1S/C20H19F3N4O2/c1-10(2)19(29)27-17-6-13-7-24-15(5-12(13)8-26-17)14-9-25-16(4-11(14)3)18(28)20(21,22)23/h4-10,18,28H,1-3H3,(H,26,27,29)/t18-/m1/s1
InChIKeyRULPHTXFTSIQAJ-GOSISDBHSA-N
XLogP4.19
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide (CID 71115158) is 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide is Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C(C)C)cc2cn1.
What is the InChIKey of 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide?
The InChIKey is RULPHTXFTSIQAJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-10(2)19(29)27-17-6-13-7-24-15(5-12(13)8-26-17)14-9-25-16(4-11(14)3)18(28)20(21,22)23/h4-10,18,28H,1-3H3,(H,26,27,29)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide?
2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide has a molecular weight of 404.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]propanamide is sourced from PubChem (CID 71115158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).