1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide

C15H19N3O3 — CID 154870500

IUPAC1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide
SMILESC[C@H](ONC(=O)C1CC(=O)N(C2CC2)C1)c1ccncc1
InChIInChI=1S/C15H19N3O3/c1-10(11-4-6-16-7-5-11)21-17-15(20)12-8-14(19)18(9-12)13-2-3-13/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,17,20)/t10-,12?/m0/s1
InChIKeyGJXPWFXCWCKGGY-NUHJPDEHSA-N
MW289.33 g/mol
LogP1.20
Rot. Bonds5

About 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide (PubChem CID 154870500) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide
PubChem CID154870500
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide
SMILESC[C@H](ONC(=O)C1CC(=O)N(C2CC2)C1)c1ccncc1
InChIInChI=1S/C15H19N3O3/c1-10(11-4-6-16-7-5-11)21-17-15(20)12-8-14(19)18(9-12)13-2-3-13/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,17,20)/t10-,12?/m0/s1
InChIKeyGJXPWFXCWCKGGY-NUHJPDEHSA-N
XLogP1.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 71884515
(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 36809683
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide (CID 154870500) is 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide is C[C@H](ONC(=O)C1CC(=O)N(C2CC2)C1)c1ccncc1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide?
The InChIKey is GJXPWFXCWCKGGY-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(11-4-6-16-7-5-11)21-17-15(20)12-8-14(19)18(9-12)13-2-3-13/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,17,20)/t10-,12?/m0/s1.
What are the key properties of 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154870500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).