N-(3-phenyl-3-pyridin-2-ylpropyl)formamide

C15H16N2O — CID 133052760

IUPACN-(3-phenyl-3-pyridin-2-ylpropyl)formamide
SMILESO=CNCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O/c18-12-16-11-9-14(13-6-2-1-3-7-13)15-8-4-5-10-17-15/h1-8,10,12,14H,9,11H2,(H,16,18)
InChIKeyBRZLPCQEKPAETF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.35
Rot. Bonds6

About N-(3-phenyl-3-pyridin-2-ylpropyl)formamide

N-(3-phenyl-3-pyridin-2-ylpropyl)formamide (PubChem CID 133052760) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(3-phenyl-3-pyridin-2-ylpropyl)formamide.

Molecular Properties

Compound NameN-(3-phenyl-3-pyridin-2-ylpropyl)formamide
PubChem CID133052760
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(3-phenyl-3-pyridin-2-ylpropyl)formamide
SMILESO=CNCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O/c18-12-16-11-9-14(13-6-2-1-3-7-13)15-8-4-5-10-17-15/h1-8,10,12,14H,9,11H2,(H,16,18)
InChIKeyBRZLPCQEKPAETF-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The IUPAC name of N-(3-phenyl-3-pyridin-2-ylpropyl)formamide (CID 133052760) is N-(3-phenyl-3-pyridin-2-ylpropyl)formamide.
What is the SMILES notation for N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The canonical SMILES for N-(3-phenyl-3-pyridin-2-ylpropyl)formamide is O=CNCCC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The InChIKey is BRZLPCQEKPAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-12-16-11-9-14(13-6-2-1-3-7-13)15-8-4-5-10-17-15/h1-8,10,12,14H,9,11H2,(H,16,18).
What are the key properties of N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
N-(3-phenyl-3-pyridin-2-ylpropyl)formamide has a molecular weight of 240.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-3-pyridin-2-ylpropyl)formamide is sourced from PubChem (CID 133052760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).