3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

C21H20FN5O2 — CID 91237132

IUPAC3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Cc2cnc(N)c(C(N)=O)n2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c1-12(14-5-7-16(22)8-6-14)26-21(29)15-4-2-3-13(9-15)10-17-11-25-19(23)18(27-17)20(24)28/h2-9,11-12H,10H2,1H3,(H2,23,25)(H2,24,28)(H,26,29)
InChIKeyZMBPKPZIBXYIDX-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.38
Rot. Bonds6

About 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 91237132) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID91237132
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Cc2cnc(N)c(C(N)=O)n2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c1-12(14-5-7-16(22)8-6-14)26-21(29)15-4-2-3-13(9-15)10-17-11-25-19(23)18(27-17)20(24)28/h2-9,11-12H,10H2,1H3,(H2,23,25)(H2,24,28)(H,26,29)
InChIKeyZMBPKPZIBXYIDX-UHFFFAOYSA-N
XLogP2.38
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 90934987
3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91435345
3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 68823954
3-amino-6-[[3-[[(4-iodobenzoyl)amino]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91365344
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9426662
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (CID 91237132) is 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is CC(NC(=O)c1cccc(Cc2cnc(N)c(C(N)=O)n2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is ZMBPKPZIBXYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12(14-5-7-16(22)8-6-14)26-21(29)15-4-2-3-13(9-15)10-17-11-25-19(23)18(27-17)20(24)28/h2-9,11-12H,10H2,1H3,(H2,23,25)(H2,24,28)(H,26,29).
What are the key properties of 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91237132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).