methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate

C19H18FN5O2 — CID 46865574

IUPACmethyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN5O2/c1-12(13-3-5-15(20)6-4-13)23-16-9-14(19(26)27-2)10-17(24-16)25-18-11-21-7-8-22-18/h3-12H,1-2H3,(H2,22,23,24,25)/t12-/m0/s1
InChIKeyNWYHINIPXDUMBD-LBPRGKRZSA-N
MW367.38 g/mol
LogP3.71
Rot. Bonds6

About methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate

methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate (PubChem CID 46865574) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate
PubChem CID46865574
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Namemethyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN5O2/c1-12(13-3-5-15(20)6-4-13)23-16-9-14(19(26)27-2)10-17(24-16)25-18-11-21-7-8-22-18/h3-12H,1-2H3,(H2,22,23,24,25)/t12-/m0/s1
InChIKeyNWYHINIPXDUMBD-LBPRGKRZSA-N
XLogP3.71
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate (CID 46865574) is methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate is COC(=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate?
The InChIKey is NWYHINIPXDUMBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-12(13-3-5-15(20)6-4-13)23-16-9-14(19(26)27-2)10-17(24-16)25-18-11-21-7-8-22-18/h3-12H,1-2H3,(H2,22,23,24,25)/t12-/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate?
methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 46865574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).