N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

C20H13F4N5 — CID 71033751

IUPACN-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFCc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C20H13F4N5/c21-9-12-3-4-17(27-10-12)29-15-5-7-25-16-8-13(11-28-19(15)16)18-14(20(22,23)24)2-1-6-26-18/h1-8,10-11H,9H2,(H,25,27,29)
InChIKeyOXJDHQNHTLNWQE-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.32
Rot. Bonds4

About N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (PubChem CID 71033751) has the molecular formula C20H13F4N5 and a molecular weight of 399.35 g/mol. Its IUPAC name is N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
PubChem CID71033751
Molecular FormulaC20H13F4N5
Molecular Weight399.35 g/mol
Exact Mass399.11
IUPAC NameN-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFCc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C20H13F4N5/c21-9-12-3-4-17(27-10-12)29-15-5-7-25-16-8-13(11-28-19(15)16)18-14(20(22,23)24)2-1-6-26-18/h1-8,10-11H,9H2,(H,25,27,29)
InChIKeyOXJDHQNHTLNWQE-UHFFFAOYSA-N
XLogP5.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The IUPAC name of N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (CID 71033751) is N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is FCc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1.
What is the InChIKey of N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The InChIKey is OXJDHQNHTLNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5/c21-9-12-3-4-17(27-10-12)29-15-5-7-25-16-8-13(11-28-19(15)16)18-14(20(22,23)24)2-1-6-26-18/h1-8,10-11H,9H2,(H,25,27,29).
What are the key properties of N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine has a molecular weight of 399.35 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 71033751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).