N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide

C23H21FN6O2 — CID 170280273

IUPACN-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(F)(C#N)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(-c3cnccn3)c2)cc1
InChIInChI=1S/C23H21FN6O2/c1-23(24,15-25)32-18-6-4-17(5-7-18)29-22(31)16-12-19(20-14-26-8-9-27-20)21(28-13-16)30-10-2-3-11-30/h4-9,12-14H,2-3,10-11H2,1H3,(H,29,31)
InChIKeyWXVAUGJPLWYONY-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 170280273) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID170280273
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(F)(C#N)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(-c3cnccn3)c2)cc1
InChIInChI=1S/C23H21FN6O2/c1-23(24,15-25)32-18-6-4-17(5-7-18)29-22(31)16-12-19(20-14-26-8-9-27-20)21(28-13-16)30-10-2-3-11-30/h4-9,12-14H,2-3,10-11H2,1H3,(H,29,31)
InChIKeyWXVAUGJPLWYONY-UHFFFAOYSA-N
XLogP3.98
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,1-difluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 146184263
N-[4-[chloro(difluoro)methoxy]phenyl]-6-pyrrolidin-1-yl-5-(1,2,4-triazin-6-yl)pyridine-3-carboxamide
CID 149027834
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 123610230
5-(2,6-difluoro-4-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123948489
6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195221
5-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123565795
5-(4-fluoro-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123827734
3-N-prop-2-ynyl-2-pyrrolidin-1-yl-5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-dicarboxamide
CID 123605560
6-[(3S)-3-cyanopiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198919
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 118195396
3-(2-methoxypyrimidin-5-yl)-4-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 123866458
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919276

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 170280273) is N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide is CC(F)(C#N)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(-c3cnccn3)c2)cc1.
What is the InChIKey of N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is WXVAUGJPLWYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-23(24,15-25)32-18-6-4-17(5-7-18)29-22(31)16-12-19(20-14-26-8-9-27-20)21(28-13-16)30-10-2-3-11-30/h4-9,12-14H,2-3,10-11H2,1H3,(H,29,31).
What are the key properties of N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyano-1-fluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 170280273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).