N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C20H21N3O2 — CID 91829119

IUPACN-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(CC2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O2/c24-19-11-14(13-23(19)18-4-2-1-3-5-18)10-17-12-15(8-9-21-17)20(25)22-16-6-7-16/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H,22,25)
InChIKeyDLUDITYQTFEKCL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.57
Rot. Bonds5

About N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 91829119) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID91829119
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(CC2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O2/c24-19-11-14(13-23(19)18-4-2-1-3-5-18)10-17-12-15(8-9-21-17)20(25)22-16-6-7-16/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H,22,25)
InChIKeyDLUDITYQTFEKCL-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide
CID 136554673
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
3-(1,2,4-oxadiazol-3-yl)-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71984467
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 91829119) is N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is O=C(NC1CC1)c1ccnc(CC2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DLUDITYQTFEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-11-14(13-23(19)18-4-2-1-3-5-18)10-17-12-15(8-9-21-17)20(25)22-16-6-7-16/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H,22,25).
What are the key properties of N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91829119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).