N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide

C19H15F3N6O2 — CID 166023642

IUPACN-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2N2CC(Oc3cc(F)c(F)c(F)c3)C2)ncn1
InChIInChI=1S/C19H15F3N6O2/c1-10-4-15(26-9-25-10)27-19(29)17-18(24-3-2-23-17)28-7-12(8-28)30-11-5-13(20)16(22)14(21)6-11/h2-6,9,12H,7-8H2,1H3,(H,25,26,27,29)
InChIKeyNKAPGJJRINQPRQ-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.51
Rot. Bonds5

About N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide

N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide (PubChem CID 166023642) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide
PubChem CID166023642
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC NameN-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2N2CC(Oc3cc(F)c(F)c(F)c3)C2)ncn1
InChIInChI=1S/C19H15F3N6O2/c1-10-4-15(26-9-25-10)27-19(29)17-18(24-3-2-23-17)28-7-12(8-28)30-11-5-13(20)16(22)14(21)6-11/h2-6,9,12H,7-8H2,1H3,(H,25,26,27,29)
InChIKeyNKAPGJJRINQPRQ-UHFFFAOYSA-N
XLogP2.51
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
6-cyclopropyl-N-(3-ethoxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415117
6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415187
6-cyclopropyl-N-(6-propan-2-yloxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415283
3-[[2-[4-(2,6-difluorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425975
6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 72201440
US9920053, Example 28
CID 118958446
US11780827, Example 25
CID 159321325
US11780827, Example 29
CID 159466237
US11780827, Example 18
CID 160330992
US11780827, Example 21
CID 161291168

Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide (CID 166023642) is N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide is Cc1cc(NC(=O)c2nccnc2N2CC(Oc3cc(F)c(F)c(F)c3)C2)ncn1.
What is the InChIKey of N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is NKAPGJJRINQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c1-10-4-15(26-9-25-10)27-19(29)17-18(24-3-2-23-17)28-7-12(8-28)30-11-5-13(20)16(22)14(21)6-11/h2-6,9,12H,7-8H2,1H3,(H,25,26,27,29).
What are the key properties of N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyrimidin-4-yl)-3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166023642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).