1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide

C18H29N3O2 — CID 71851504

IUPAC1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCCCCn2ccccc2=O)C1
InChIInChI=1S/C18H29N3O2/c1-15(2)13-20-12-8-16(14-20)18(23)19-9-4-6-11-21-10-5-3-7-17(21)22/h3,5,7,10,15-16H,4,6,8-9,11-14H2,1-2H3,(H,19,23)
InChIKeyHWQVKZUVVWFOJW-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.72
Rot. Bonds8

About 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide

1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide (PubChem CID 71851504) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
PubChem CID71851504
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCCCCn2ccccc2=O)C1
InChIInChI=1S/C18H29N3O2/c1-15(2)13-20-12-8-16(14-20)18(23)19-9-4-6-11-21-10-5-3-7-17(21)22/h3,5,7,10,15-16H,4,6,8-9,11-14H2,1-2H3,(H,19,23)
InChIKeyHWQVKZUVVWFOJW-UHFFFAOYSA-N
XLogP1.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111210589
1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
CID 155037195
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126471
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083567
N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 51362499

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide (CID 71851504) is 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide is CC(C)CN1CCC(C(=O)NCCCCn2ccccc2=O)C1.
What is the InChIKey of 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide?
The InChIKey is HWQVKZUVVWFOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)13-20-12-8-16(14-20)18(23)19-9-4-6-11-21-10-5-3-7-17(21)22/h3,5,7,10,15-16H,4,6,8-9,11-14H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71851504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).