N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C22H18F4N4O3 — CID 134609346

IUPACN-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1
InChIInChI=1S/C22H18F4N4O3/c1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,30,31)
InChIKeyADQPZAHGDRPPNG-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.32
Rot. Bonds5

About N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609346) has the molecular formula C22H18F4N4O3 and a molecular weight of 462.40 g/mol. Its IUPAC name is N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609346
Molecular FormulaC22H18F4N4O3
Molecular Weight462.40 g/mol
Exact Mass462.13
IUPAC NameN-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1
InChIInChI=1S/C22H18F4N4O3/c1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,30,31)
InChIKeyADQPZAHGDRPPNG-UHFFFAOYSA-N
XLogP4.32
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 118948654
N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135138998
2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile
CID 162619055
N-[5-[7-(2-hydroxyethyl)-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 139393861
N-[5-(7-hydroxy-2,4,5,5a,6,7-hexahydro-1H-[1,4]oxazepino[4,5-a][1,5]naphthyridin-10-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 139393917
N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405023
N-[5-[5-cyano-6-(2-oxo-1-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405140
N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide
CID 155216132
N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 134609472
2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
CID 86297886
2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90461314

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609346) is N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1.
What is the InChIKey of N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ADQPZAHGDRPPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O3/c1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,30,31).
What are the key properties of N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 462.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).