N-[4-(3-cyanophenyl)-2-pyridinyl]formamide

C13H9N3O — CID 134418130

IUPACN-[4-(3-cyanophenyl)-2-pyridinyl]formamide
SMILESN#Cc1cccc(-c2ccnc(NC=O)c2)c1
InChIInChI=1S/C13H9N3O/c14-8-10-2-1-3-11(6-10)12-4-5-15-13(7-12)16-9-17/h1-7,9H,(H,15,16,17)
InChIKeyCTAJMMXTESBIPY-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.19
Rot. Bonds3

About N-[4-(3-cyanophenyl)-2-pyridinyl]formamide

N-[4-(3-cyanophenyl)-2-pyridinyl]formamide (PubChem CID 134418130) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-2-pyridinyl]formamide
PubChem CID134418130
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC NameN-[4-(3-cyanophenyl)-2-pyridinyl]formamide
SMILESN#Cc1cccc(-c2ccnc(NC=O)c2)c1
InChIInChI=1S/C13H9N3O/c14-8-10-2-1-3-11(6-10)12-4-5-15-13(7-12)16-9-17/h1-7,9H,(H,15,16,17)
InChIKeyCTAJMMXTESBIPY-UHFFFAOYSA-N
XLogP2.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
CID 129270815
3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile
CID 165475556
N-[4-(4-cyanophenyl)-2-pyridinyl]benzamide
CID 155673932
3-(5-formyl-3-pyridinyl)benzonitrile
CID 24729804
3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605030
3-(4-hydrazinyl-2-pyridinyl)benzonitrile
CID 102825226
3-(2,4-difluoro-3-pyridinyl)benzonitrile
CID 68537562
3-(3-formyl-4-pyridinyl)benzonitrile
CID 59205208
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
CID 138570011
2-anilinopyridine-4-carbonitrile
CID 24696970
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-2-pyridinyl]formamide?
The IUPAC name of N-[4-(3-cyanophenyl)-2-pyridinyl]formamide (CID 134418130) is N-[4-(3-cyanophenyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-2-pyridinyl]formamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-2-pyridinyl]formamide is N#Cc1cccc(-c2ccnc(NC=O)c2)c1.
What is the InChIKey of N-[4-(3-cyanophenyl)-2-pyridinyl]formamide?
The InChIKey is CTAJMMXTESBIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-8-10-2-1-3-11(6-10)12-4-5-15-13(7-12)16-9-17/h1-7,9H,(H,15,16,17).
What are the key properties of N-[4-(3-cyanophenyl)-2-pyridinyl]formamide?
N-[4-(3-cyanophenyl)-2-pyridinyl]formamide has a molecular weight of 223.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-2-pyridinyl]formamide is sourced from PubChem (CID 134418130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).