3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine

C19H23F2N5O — CID 134188081

IUPAC3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine
SMILESC=C(N)c1cc(F)c(CC)nc1Nc1cnc(N2CCOCC2)c(CF)c1
InChIInChI=1S/C19H23F2N5O/c1-3-17-16(21)9-15(12(2)22)18(25-17)24-14-8-13(10-20)19(23-11-14)26-4-6-27-7-5-26/h8-9,11H,2-7,10,22H2,1H3,(H,24,25)
InChIKeyLAIGLNFXFYXIBP-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.16
Rot. Bonds6

About 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine

3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine (PubChem CID 134188081) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine
PubChem CID134188081
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine
SMILESC=C(N)c1cc(F)c(CC)nc1Nc1cnc(N2CCOCC2)c(CF)c1
InChIInChI=1S/C19H23F2N5O/c1-3-17-16(21)9-15(12(2)22)18(25-17)24-14-8-13(10-20)19(23-11-14)26-4-6-27-7-5-26/h8-9,11H,2-7,10,22H2,1H3,(H,24,25)
InChIKeyLAIGLNFXFYXIBP-UHFFFAOYSA-N
XLogP3.16
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine (CID 134188081) is 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine is C=C(N)c1cc(F)c(CC)nc1Nc1cnc(N2CCOCC2)c(CF)c1.
What is the InChIKey of 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine?
The InChIKey is LAIGLNFXFYXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-3-17-16(21)9-15(12(2)22)18(25-17)24-14-8-13(10-20)19(23-11-14)26-4-6-27-7-5-26/h8-9,11H,2-7,10,22H2,1H3,(H,24,25).
What are the key properties of 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine?
3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine has a molecular weight of 375.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-6-ethyl-5-fluoro-N-[5-(fluoromethyl)-6-morpholin-4-yl-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 134188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).