4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide

C19H17F2N5O — CID 58440120

IUPAC4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(Nc1cc(Cc2cnccn2)ncc1C(N)=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2N5O/c1-11(12-4-13(20)6-14(21)5-12)26-18-8-15(25-10-17(18)19(22)27)7-16-9-23-2-3-24-16/h2-6,8-11H,7H2,1H3,(H2,22,27)(H,25,26)
InChIKeyFFMGEVPGZSRXRJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.01
Rot. Bonds6

About 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide

4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 58440120) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID58440120
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(Nc1cc(Cc2cnccn2)ncc1C(N)=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2N5O/c1-11(12-4-13(20)6-14(21)5-12)26-18-8-15(25-10-17(18)19(22)27)7-16-9-23-2-3-24-16/h2-6,8-11H,7H2,1H3,(H2,22,27)(H,25,26)
InChIKeyFFMGEVPGZSRXRJ-UHFFFAOYSA-N
XLogP3.01
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide (CID 58440120) is 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide is CC(Nc1cc(Cc2cnccn2)ncc1C(N)=O)c1cc(F)cc(F)c1.
What is the InChIKey of 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FFMGEVPGZSRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-11(12-4-13(20)6-14(21)5-12)26-18-8-15(25-10-17(18)19(22)27)7-16-9-23-2-3-24-16/h2-6,8-11H,7H2,1H3,(H2,22,27)(H,25,26).
What are the key properties of 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide?
4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58440120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).