N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine

C33H30F5N5O2 — CID 170416574

About N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 170416574) has the molecular formula C33H30F5N5O2 and a molecular weight of 623.63 g/mol. Its IUPAC name is N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 170416574
• Molecular Formula: C33H30F5N5O2
• Molecular Weight: 623.63 g/mol
• Exact Mass: 623.23
• IUPAC Name: N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine
• SMILES: Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(NCCN(C)C)nccc3n2)ccc(F)c1F
• InChI: InChI=1S/C33H30F5N5O2/c1-19-22(33(36,37)38)17-41-32(45-26-11-10-23(34)30(35)20(26)2)28(19)25-16-27(44-18-21-8-6-5-7-9-21)29-24(42-25)12-13-39-31(29)40-14-15-43(3)4/h5-13,16-17H,14-15,18H2,1-4H3,(H,39,40)
• InChIKey: UYPJSHWVEFZURO-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.63
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine (CID 170416574) is N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine is Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(NCCN(C)C)nccc3n2)ccc(F)c1F.

What is the InChIKey of N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is UYPJSHWVEFZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F5N5O2/c1-19-22(33(36,37)38)17-41-32(45-26-11-10-23(34)30(35)20(26)2)28(19)25-16-27(44-18-21-8-6-5-7-9-21)29-24(42-25)12-13-39-31(29)40-14-15-43(3)4/h5-13,16-17H,14-15,18H2,1-4H3,(H,39,40).

What are the key properties of N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine?

N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 623.63 g/mol, XLogP of 7.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170416574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).