3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

C20H18FN5O2 — CID 91434682

IUPAC3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2cccc(C(=O)NCc3ccccc3F)c2)cnc1N
InChIInChI=1S/C20H18FN5O2/c21-16-7-2-1-5-14(16)10-25-20(28)13-6-3-4-12(8-13)9-15-11-24-18(22)17(26-15)19(23)27/h1-8,11H,9-10H2,(H2,22,24)(H2,23,27)(H,25,28)
InChIKeyOGLNLEGTZUABED-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 91434682) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID91434682
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2cccc(C(=O)NCc3ccccc3F)c2)cnc1N
InChIInChI=1S/C20H18FN5O2/c21-16-7-2-1-5-14(16)10-25-20(28)13-6-3-4-12(8-13)9-15-11-24-18(22)17(26-15)19(23)27/h1-8,11H,9-10H2,(H2,22,24)(H2,23,27)(H,25,28)
InChIKeyOGLNLEGTZUABED-UHFFFAOYSA-N
XLogP1.82
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.82
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-[[(4-iodobenzoyl)amino]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91365344
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91237132
3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 68823954
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651302
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (CID 91434682) is 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is NC(=O)c1nc(Cc2cccc(C(=O)NCc3ccccc3F)c2)cnc1N.
What is the InChIKey of 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is OGLNLEGTZUABED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-16-7-2-1-5-14(16)10-25-20(28)13-6-3-4-12(8-13)9-15-11-24-18(22)17(26-15)19(23)27/h1-8,11H,9-10H2,(H2,22,24)(H2,23,27)(H,25,28).
What are the key properties of 3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 1.82, 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-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91434682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).