N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide

C26H27N3O2 — CID 110243400

IUPACN,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H27N3O2/c1-28(2)25(31)26(13-16-29(19-26)24(30)22-11-14-27-15-12-22)18-20-7-6-10-23(17-20)21-8-4-3-5-9-21/h3-12,14-15,17H,13,16,18-19H2,1-2H3
InChIKeyNOQUYKHJQVDUAE-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.91
Rot. Bonds5

About N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide

N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110243400) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110243400
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H27N3O2/c1-28(2)25(31)26(13-16-29(19-26)24(30)22-11-14-27-15-12-22)18-20-7-6-10-23(17-20)21-8-4-3-5-9-21/h3-12,14-15,17H,13,16,18-19H2,1-2H3
InChIKeyNOQUYKHJQVDUAE-UHFFFAOYSA-N
XLogP3.91
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605015
(3S)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605016
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
N,N-diethyl-1-(pyridine-4-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229617
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 92590805
3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide (CID 110243400) is N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is NOQUYKHJQVDUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28(2)25(31)26(13-16-29(19-26)24(30)22-11-14-27-15-12-22)18-20-7-6-10-23(17-20)21-8-4-3-5-9-21/h3-12,14-15,17H,13,16,18-19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide?
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110243400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).