N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C27H31N3O — CID 11976367

IUPACN-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C27H31N3O/c31-27(24-13-14-25(29-21-24)16-20-30-18-7-8-19-30)28-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2,(H,28,31)
InChIKeyCPEKMCGEFOATRS-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.67
Rot. Bonds9

About N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 11976367) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID11976367
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C27H31N3O/c31-27(24-13-14-25(29-21-24)16-20-30-18-7-8-19-30)28-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2,(H,28,31)
InChIKeyCPEKMCGEFOATRS-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 11976367) is N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is CPEKMCGEFOATRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c31-27(24-13-14-25(29-21-24)16-20-30-18-7-8-19-30)28-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2,(H,28,31).
What are the key properties of N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11976367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).