N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide

C19H20FN5O2 — CID 86864868

IUPACN-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/c20-17-6-4-15(5-7-17)12-23-19(27)24-13-18(26)25(10-2-8-21)14-16-3-1-9-22-11-16/h1,3-7,9,11H,2,10,12-14H2,(H2,23,24,27)
InChIKeyGWIXRQYUJFDOCC-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.96
Rot. Bonds8

About N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide

N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 86864868) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID86864868
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/c20-17-6-4-15(5-7-17)12-23-19(27)24-13-18(26)25(10-2-8-21)14-16-3-1-9-22-11-16/h1,3-7,9,11H,2,10,12-14H2,(H2,23,24,27)
InChIKeyGWIXRQYUJFDOCC-UHFFFAOYSA-N
XLogP1.96
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
CID 78855212
1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 2818689
1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115667786
N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115496717
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-(1-aminocyclobutyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 79852125
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 78803583
N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 60609873
N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 42750171
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 86864868) is N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide is N#CCCN(Cc1cccnc1)C(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GWIXRQYUJFDOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-17-6-4-15(5-7-17)12-23-19(27)24-13-18(26)25(10-2-8-21)14-16-3-1-9-22-11-16/h1,3-7,9,11H,2,10,12-14H2,(H2,23,24,27).
What are the key properties of N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 86864868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).