N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide

C19H21N3O2 — CID 45176103

IUPACN-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC(=O)N(CCCc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H21N3O2/c23-18-13-17(21-19(24)16-8-10-20-11-9-16)14-22(18)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,21,24)
InChIKeyQTIYTXBSKURFJL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.05
Rot. Bonds6

About N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide

N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 45176103) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID45176103
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC(=O)N(CCCc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H21N3O2/c23-18-13-17(21-19(24)16-8-10-20-11-9-16)14-22(18)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,21,24)
InChIKeyQTIYTXBSKURFJL-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 42311318
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide (CID 45176103) is N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide is O=C(NC1CC(=O)N(CCCc2ccccc2)C1)c1ccncc1.
What is the InChIKey of N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is QTIYTXBSKURFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18-13-17(21-19(24)16-8-10-20-11-9-16)14-22(18)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,21,24).
What are the key properties of N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 45176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).