N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine

C19H23FN4 — CID 141181166

IUPACN-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCN(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H23FN4/c1-2-4-17-12-22-19(13-21-17)23-18-8-10-24(14-18)9-7-15-5-3-6-16(20)11-15/h2-3,5-6,11-13,18H,1,4,7-10,14H2,(H,22,23)/t18-/m1/s1
InChIKeyDXFJTCOSHZUNAO-GOSISDBHSA-N
MW326.42 g/mol
LogP3.07
Rot. Bonds7

About N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine

N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine (PubChem CID 141181166) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
PubChem CID141181166
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC NameN-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCN(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H23FN4/c1-2-4-17-12-22-19(13-21-17)23-18-8-10-24(14-18)9-7-15-5-3-6-16(20)11-15/h2-3,5-6,11-13,18H,1,4,7-10,14H2,(H,22,23)/t18-/m1/s1
InChIKeyDXFJTCOSHZUNAO-GOSISDBHSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;tetrahydrochloride
CID 173048701
(E)-3-[5-[[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 135900392
(E)-3-[5-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]amino]pyrazin-2-yl]prop-2-enoic acid
CID 67128671
2-[[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]pyrrolidin-1-yl]methyl]phenol
CID 141133442
N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
CID 141133441
5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine
CID 141133520
(E)-3-[5-[[(3R)-1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-2-methylprop-2-enoic acid
CID 67128835
3-[5-[[(3R)-1-[2-(2,6-difluorophenyl)ethyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enoic acid
CID 67128738
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
methyl 3-[5-[[(3R)-1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 90741378
N-cyclopentyl-1-[2-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106562507

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine?
The IUPAC name of N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine (CID 141181166) is N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine.
What is the SMILES notation for N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine?
The canonical SMILES for N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine is C=CCc1cnc(N[C@@H]2CCN(CCc3cccc(F)c3)C2)cn1.
What is the InChIKey of N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine?
The InChIKey is DXFJTCOSHZUNAO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN4/c1-2-4-17-12-22-19(13-21-17)23-18-8-10-24(14-18)9-7-15-5-3-6-16(20)11-15/h2-3,5-6,11-13,18H,1,4,7-10,14H2,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine?
N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine has a molecular weight of 326.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine is sourced from PubChem (CID 141181166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).