N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide

C19H17F3N6O3 — CID 171567205

IUPACN-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESN#CC(NC(=O)C1CCCN1C(=O)CNC(=O)C(F)(F)F)c1cncc2cnccc12
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)18(31)26-10-16(29)28-5-1-2-15(28)17(30)27-14(6-23)13-9-25-8-11-7-24-4-3-12(11)13/h3-4,7-9,14-15H,1-2,5,10H2,(H,26,31)(H,27,30)
InChIKeyZQOIFZKFKUZKPG-UHFFFAOYSA-N
MW434.38 g/mol
LogP0.98
Rot. Bonds5

About N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide

N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 171567205) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID171567205
Molecular FormulaC19H17F3N6O3
Molecular Weight434.38 g/mol
Exact Mass434.13
IUPAC NameN-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESN#CC(NC(=O)C1CCCN1C(=O)CNC(=O)C(F)(F)F)c1cncc2cnccc12
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)18(31)26-10-16(29)28-5-1-2-15(28)17(30)27-14(6-23)13-9-25-8-11-7-24-4-3-12(11)13/h3-4,7-9,14-15H,1-2,5,10H2,(H,26,31)(H,27,30)
InChIKeyZQOIFZKFKUZKPG-UHFFFAOYSA-N
XLogP0.98
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2S,5S)-N-[cyano(2,7-naphthyridin-4-yl)methyl]-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170167199
(2S)-N-[cyano-(3-ethynyl-1-methylpyrazolo[3,4-c]pyridin-4-yl)methyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide;oxolane
CID 167522901
(2S,3R)-N-[cyano(1,7-naphthyridin-5-yl)methyl]-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 174284805
(2S)-N-[cyano(isoquinolin-4-yl)methyl]-3-(3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167522030
(1R,2S,5S)-2-[[cyano(isoquinolin-4-yl)methyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170167512
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 90655557
N-[cyano(isoquinolin-4-yl)methyl]-4-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-9-fluoro-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide
CID 171608772
[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 71655265
4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 172890180
(2S)-1-[2-(4-chlorophenyl)acetyl]-N-[(3-chlorophenyl)-cyanomethyl]pyrrolidine-2-carboxamide
CID 10295365
2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
CID 86921275
(2S)-N-[(3-chlorophenyl)-cyanomethyl]-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxamide
CID 90803952

Frequently Asked Questions

What is the IUPAC name of N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 171567205) is N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide is N#CC(NC(=O)C1CCCN1C(=O)CNC(=O)C(F)(F)F)c1cncc2cnccc12.
What is the InChIKey of N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ZQOIFZKFKUZKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c20-19(21,22)18(31)26-10-16(29)28-5-1-2-15(28)17(30)27-14(6-23)13-9-25-8-11-7-24-4-3-12(11)13/h3-4,7-9,14-15H,1-2,5,10H2,(H,26,31)(H,27,30).
What are the key properties of N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 434.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(2,7-naphthyridin-4-yl)methyl]-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171567205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).