N-(3,3-diphenylpropyl)pyridine-4-carboxamide

C21H20N2O — CID 5193384

IUPACN-(3,3-diphenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H20N2O/c24-21(19-11-14-22-15-12-19)23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14-15,20H,13,16H2,(H,23,24)
InChIKeyFNZXNCPUNGHMCJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.03
Rot. Bonds6

About N-(3,3-diphenylpropyl)pyridine-4-carboxamide

N-(3,3-diphenylpropyl)pyridine-4-carboxamide (PubChem CID 5193384) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)pyridine-4-carboxamide
PubChem CID5193384
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(3,3-diphenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H20N2O/c24-21(19-11-14-22-15-12-19)23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14-15,20H,13,16H2,(H,23,24)
InChIKeyFNZXNCPUNGHMCJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)pyridine-4-carboxamide (CID 5193384) is N-(3,3-diphenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)pyridine-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1.
What is the InChIKey of N-(3,3-diphenylpropyl)pyridine-4-carboxamide?
The InChIKey is FNZXNCPUNGHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(19-11-14-22-15-12-19)23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14-15,20H,13,16H2,(H,23,24).
What are the key properties of N-(3,3-diphenylpropyl)pyridine-4-carboxamide?
N-(3,3-diphenylpropyl)pyridine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 5193384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).