N-phenyl-N-pyridin-3-ylformamide

C12H10N2O — CID 54269993

IUPACN-phenyl-N-pyridin-3-ylformamide
SMILESO=CN(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H10N2O/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13-9-12/h1-10H
InChIKeyZPPULSNZRSGOKC-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.38
Rot. Bonds3

About N-phenyl-N-pyridin-3-ylformamide

N-phenyl-N-pyridin-3-ylformamide (PubChem CID 54269993) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-phenyl-N-pyridin-3-ylformamide.

Molecular Properties

Compound NameN-phenyl-N-pyridin-3-ylformamide
PubChem CID54269993
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-phenyl-N-pyridin-3-ylformamide
SMILESO=CN(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H10N2O/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13-9-12/h1-10H
InChIKeyZPPULSNZRSGOKC-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-pyridin-3-ylformamide?
The IUPAC name of N-phenyl-N-pyridin-3-ylformamide (CID 54269993) is N-phenyl-N-pyridin-3-ylformamide.
What is the SMILES notation for N-phenyl-N-pyridin-3-ylformamide?
The canonical SMILES for N-phenyl-N-pyridin-3-ylformamide is O=CN(c1ccccc1)c1cccnc1.
What is the InChIKey of N-phenyl-N-pyridin-3-ylformamide?
The InChIKey is ZPPULSNZRSGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13-9-12/h1-10H.
What are the key properties of N-phenyl-N-pyridin-3-ylformamide?
N-phenyl-N-pyridin-3-ylformamide has a molecular weight of 198.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-pyridin-3-ylformamide is sourced from PubChem (CID 54269993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).