N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C16H13N5O2 — CID 90510914

IUPACN-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1
InChIInChI=1S/C16H13N5O2/c17-7-11-2-1-3-13(6-11)20-15(22)12-9-21(10-12)16(23)14-8-18-4-5-19-14/h1-6,8,12H,9-10H2,(H,20,22)
InChIKeyWWACEFFCLNKHDU-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.06
Rot. Bonds3

About N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90510914) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90510914
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1
InChIInChI=1S/C16H13N5O2/c17-7-11-2-1-3-13(6-11)20-15(22)12-9-21(10-12)16(23)14-8-18-4-5-19-14/h1-6,8,12H,9-10H2,(H,20,22)
InChIKeyWWACEFFCLNKHDU-UHFFFAOYSA-N
XLogP1.06
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513988
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785188
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233698
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081935
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90510914) is N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is N#Cc1cccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is WWACEFFCLNKHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-7-11-2-1-3-13(6-11)20-15(22)12-9-21(10-12)16(23)14-8-18-4-5-19-14/h1-6,8,12H,9-10H2,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90510914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).