N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide

C25H23FN6O — CID 46866028

IUPACN-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
SMILESC[C@H](Nc1cc(C(=O)NCc2ccccc2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O/c1-17(19-7-9-21(26)10-8-19)30-22-13-20(25(33)29-15-18-5-3-2-4-6-18)14-23(31-22)32-24-16-27-11-12-28-24/h2-14,16-17H,15H2,1H3,(H,29,33)(H2,28,30,31,32)/t17-/m0/s1
InChIKeyWRJCQTGURCRZIA-KRWDZBQOSA-N
MW442.50 g/mol
LogP4.86
Rot. Bonds8

About N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide

N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide (PubChem CID 46866028) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
PubChem CID46866028
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC NameN-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
SMILESC[C@H](Nc1cc(C(=O)NCc2ccccc2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O/c1-17(19-7-9-21(26)10-8-19)30-22-13-20(25(33)29-15-18-5-3-2-4-6-18)14-23(31-22)32-24-16-27-11-12-28-24/h2-14,16-17H,15H2,1H3,(H,29,33)(H2,28,30,31,32)/t17-/m0/s1
InChIKeyWRJCQTGURCRZIA-KRWDZBQOSA-N
XLogP4.86
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide (CID 46866028) is N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide is C[C@H](Nc1cc(C(=O)NCc2ccccc2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
The InChIKey is WRJCQTGURCRZIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-17(19-7-9-21(26)10-8-19)30-22-13-20(25(33)29-15-18-5-3-2-4-6-18)14-23(31-22)32-24-16-27-11-12-28-24/h2-14,16-17H,15H2,1H3,(H,29,33)(H2,28,30,31,32)/t17-/m0/s1.
What are the key properties of N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide?
N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 46866028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).