N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C23H23N3O — CID 4792834

IUPACN-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1cccnc1N1CCCC1
InChIInChI=1S/C23H23N3O/c27-23(20-12-8-14-24-22(20)26-15-6-7-16-26)25-21-13-5-4-11-19(21)17-18-9-2-1-3-10-18/h1-5,8-14H,6-7,15-17H2,(H,25,27)
InChIKeyXFUMVYQPRNAZLV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.52
Rot. Bonds5

About N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 4792834) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID4792834
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1cccnc1N1CCCC1
InChIInChI=1S/C23H23N3O/c27-23(20-12-8-14-24-22(20)26-15-6-7-16-26)25-21-13-5-4-11-19(21)17-18-9-2-1-3-10-18/h1-5,8-14H,6-7,15-17H2,(H,25,27)
InChIKeyXFUMVYQPRNAZLV-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9488209
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 4792834) is N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)c1cccnc1N1CCCC1.
What is the InChIKey of N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is XFUMVYQPRNAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(20-12-8-14-24-22(20)26-15-6-7-16-26)25-21-13-5-4-11-19(21)17-18-9-2-1-3-10-18/h1-5,8-14H,6-7,15-17H2,(H,25,27).
What are the key properties of N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4792834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).