4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide

C21H20N4O — CID 156839359

IUPAC4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cncnc2)c1)C1CNCC1c1ccccc1
InChIInChI=1S/C21H20N4O/c26-21(20-13-22-12-19(20)15-5-2-1-3-6-15)25-18-8-4-7-16(9-18)17-10-23-14-24-11-17/h1-11,14,19-20,22H,12-13H2,(H,25,26)
InChIKeyBBVRTQVFQJBCFN-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.09
Rot. Bonds4

About 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide

4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 156839359) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID156839359
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cncnc2)c1)C1CNCC1c1ccccc1
InChIInChI=1S/C21H20N4O/c26-21(20-13-22-12-19(20)15-5-2-1-3-6-15)25-18-8-4-7-16(9-18)17-10-23-14-24-11-17/h1-11,14,19-20,22H,12-13H2,(H,25,26)
InChIKeyBBVRTQVFQJBCFN-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 166790335
(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839330
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
CID 166790595
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
(3S,4R)-N-[3-(oxan-4-yloxy)phenyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 161099251
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120931999
methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 158312980

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide (CID 156839359) is 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2cncnc2)c1)C1CNCC1c1ccccc1.
What is the InChIKey of 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BBVRTQVFQJBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(20-13-22-12-19(20)15-5-2-1-3-6-15)25-18-8-4-7-16(9-18)17-10-23-14-24-11-17/h1-11,14,19-20,22H,12-13H2,(H,25,26).
What are the key properties of 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide?
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156839359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).