N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H21F3N4O3 — CID 71449283

IUPACN-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1cnc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
InChIKeyDASYNINSCRABIO-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71449283) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71449283
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC NameN-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1cnc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
InChIKeyDASYNINSCRABIO-UHFFFAOYSA-N
XLogP3.85
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 90408582
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CID 2800173
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CID 45487805
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CID 44552634
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CID 44555196
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CID 46885191

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71449283) is N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is COc1cnc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is DASYNINSCRABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30).
What are the key properties of N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71449283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).