N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C23H15ClF3N5O2 — CID 71010141

IUPACN-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3cccc(C(F)(F)F)n3)ccc2Cl)cn1
InChIInChI=1S/C23H15ClF3N5O2/c1-13-7-8-28-10-16(13)22(33)32-20-12-29-18(11-30-20)15-9-14(5-6-17(15)24)34-21-4-2-3-19(31-21)23(25,26)27/h2-12H,1H3,(H,30,32,33)
InChIKeyPUUWGIALQPXHGQ-UHFFFAOYSA-N
MW485.85 g/mol
LogP5.96
Rot. Bonds5

About N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 71010141) has the molecular formula C23H15ClF3N5O2 and a molecular weight of 485.85 g/mol. Its IUPAC name is N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID71010141
Molecular FormulaC23H15ClF3N5O2
Molecular Weight485.85 g/mol
Exact Mass485.09
IUPAC NameN-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3cccc(C(F)(F)F)n3)ccc2Cl)cn1
InChIInChI=1S/C23H15ClF3N5O2/c1-13-7-8-28-10-16(13)22(33)32-20-12-29-18(11-30-20)15-9-14(5-6-17(15)24)34-21-4-2-3-19(31-21)23(25,26)27/h2-12H,1H3,(H,30,32,33)
InChIKeyPUUWGIALQPXHGQ-UHFFFAOYSA-N
XLogP5.96
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 71010141) is N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3cccc(C(F)(F)F)n3)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is PUUWGIALQPXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2/c1-13-7-8-28-10-16(13)22(33)32-20-12-29-18(11-30-20)15-9-14(5-6-17(15)24)34-21-4-2-3-19(31-21)23(25,26)27/h2-12H,1H3,(H,30,32,33).
What are the key properties of N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 485.85 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).