2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide

C19H15F3N8O — CID 165154671

IUPAC2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nc(C2(C#N)CC2)c1)c1nccnc1-n1nccn1
InChIInChI=1S/C19H15F3N8O/c1-11(15-16(25-5-4-24-15)30-26-6-7-27-30)28-17(31)12-8-13(18(10-23)2-3-18)29-14(9-12)19(20,21)22/h4-9,11H,2-3H2,1H3,(H,28,31)
InChIKeyKZSBWWRHNMWQCG-UHFFFAOYSA-N
MW428.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide

2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 165154671) has the molecular formula C19H15F3N8O and a molecular weight of 428.38 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID165154671
Molecular FormulaC19H15F3N8O
Molecular Weight428.38 g/mol
Exact Mass428.13
IUPAC Name2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nc(C2(C#N)CC2)c1)c1nccnc1-n1nccn1
InChIInChI=1S/C19H15F3N8O/c1-11(15-16(25-5-4-24-15)30-26-6-7-27-30)28-17(31)12-8-13(18(10-23)2-3-18)29-14(9-12)19(20,21)22/h4-9,11H,2-3H2,1H3,(H,28,31)
InChIKeyKZSBWWRHNMWQCG-UHFFFAOYSA-N
XLogP2.52
TPSA122.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide (CID 165154671) is 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nc(C2(C#N)CC2)c1)c1nccnc1-n1nccn1.
What is the InChIKey of 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is KZSBWWRHNMWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O/c1-11(15-16(25-5-4-24-15)30-26-6-7-27-30)28-17(31)12-8-13(18(10-23)2-3-18)29-14(9-12)19(20,21)22/h4-9,11H,2-3H2,1H3,(H,28,31).
What are the key properties of 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 428.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanocyclopropyl)-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 165154671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).