N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide

C23H20FN5O2 — CID 166273150

IUPACN-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(COc2ccc(NC(=O)c3cncc(N4CCCC4)n3)cc2F)c1
InChIInChI=1S/C23H20FN5O2/c24-19-11-18(6-7-21(19)31-15-17-5-3-4-16(10-17)12-25)27-23(30)20-13-26-14-22(28-20)29-8-1-2-9-29/h3-7,10-11,13-14H,1-2,8-9,15H2,(H,27,30)
InChIKeyWHNPYFAHFISKKL-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide

N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 166273150) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID166273150
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(COc2ccc(NC(=O)c3cncc(N4CCCC4)n3)cc2F)c1
InChIInChI=1S/C23H20FN5O2/c24-19-11-18(6-7-21(19)31-15-17-5-3-4-16(10-17)12-25)27-23(30)20-13-26-14-22(28-20)29-8-1-2-9-29/h3-7,10-11,13-14H,1-2,8-9,15H2,(H,27,30)
InChIKeyWHNPYFAHFISKKL-UHFFFAOYSA-N
XLogP3.92
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-2-oxoacetamide
CID 154807163
N-[4-[(3-ethynylphenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449764
N-[3-[(3-cyanophenyl)methoxy]phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39500774
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
3-[[2-fluoro-4-[(2-methyltetrazol-5-yl)methylamino]phenoxy]methyl]benzonitrile
CID 167821304
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 166273150) is N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide is N#Cc1cccc(COc2ccc(NC(=O)c3cncc(N4CCCC4)n3)cc2F)c1.
What is the InChIKey of N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is WHNPYFAHFISKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-19-11-18(6-7-21(19)31-15-17-5-3-4-16(10-17)12-25)27-23(30)20-13-26-14-22(28-20)29-8-1-2-9-29/h3-7,10-11,13-14H,1-2,8-9,15H2,(H,27,30).
What are the key properties of N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyanophenyl)methoxy]-3-fluorophenyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166273150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).