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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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 10288340
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 44548840
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135682064
N-[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537186
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 141359883
4-[[2-methoxy-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzonitrile
CID 174467133
N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 10217973
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
N-[4-tert-butyl-3-[3-(2-methoxyethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030013
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573

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).