N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

C23H23N3O — CID 100745479

IUPACN-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C23H23N3O/c27-23(20-12-7-13-24-14-20)25-22-17-26(15-18-8-3-1-4-9-18)16-21(22)19-10-5-2-6-11-19/h1-14,21-22H,15-17H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyLYCCOGLCDWEFCR-FCHUYYIVSA-N
MW357.46 g/mol
LogP3.48
Rot. Bonds5

About N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 100745479) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID100745479
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C23H23N3O/c27-23(20-12-7-13-24-14-20)25-22-17-26(15-18-8-3-1-4-9-18)16-21(22)19-10-5-2-6-11-19/h1-14,21-22H,15-17H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyLYCCOGLCDWEFCR-FCHUYYIVSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[(3S,4S)-1-benzyl-4-chloropyrrolidin-3-yl]benzamide
CID 101077011
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 100745479) is N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is LYCCOGLCDWEFCR-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(20-12-7-13-24-14-20)25-22-17-26(15-18-8-3-1-4-9-18)16-21(22)19-10-5-2-6-11-19/h1-14,21-22H,15-17H2,(H,25,27)/t21-,22+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 100745479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).