N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide

C20H17FN4O2 — CID 167893876

IUPACN-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(NC(=O)c3cncc(F)c3)c2)CC2CC2C1
InChIInChI=1S/C20H17FN4O2/c21-15-5-14(9-23-10-15)18(26)24-16-2-1-3-17(6-16)25-19(27)20(11-22)7-12-4-13(12)8-20/h1-3,5-6,9-10,12-13H,4,7-8H2,(H,24,26)(H,25,27)
InChIKeySVVXPRXGDVJJAC-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.35
Rot. Bonds4

About N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide

N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 167893876) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID167893876
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(NC(=O)c3cncc(F)c3)c2)CC2CC2C1
InChIInChI=1S/C20H17FN4O2/c21-15-5-14(9-23-10-15)18(26)24-16-2-1-3-17(6-16)25-19(27)20(11-22)7-12-4-13(12)8-20/h1-3,5-6,9-10,12-13H,4,7-8H2,(H,24,26)(H,25,27)
InChIKeySVVXPRXGDVJJAC-UHFFFAOYSA-N
XLogP3.35
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 131920050
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide (CID 167893876) is N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide is N#CC1(C(=O)Nc2cccc(NC(=O)c3cncc(F)c3)c2)CC2CC2C1.
What is the InChIKey of N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is SVVXPRXGDVJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-15-5-14(9-23-10-15)18(26)24-16-2-1-3-17(6-16)25-19(27)20(11-22)7-12-4-13(12)8-20/h1-3,5-6,9-10,12-13H,4,7-8H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide?
N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 167893876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).