3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C15H23N3O — CID 106979981

IUPAC3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ccncc2)CCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(6-10-17-11-15)14(19)18-9-5-13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyBOQBMFGOQJBFGX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.38
Rot. Bonds5

About 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 106979981) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID106979981
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ccncc2)CCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(6-10-17-11-15)14(19)18-9-5-13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyBOQBMFGOQJBFGX-UHFFFAOYSA-N
XLogP1.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981293
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981317
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817
N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979559

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 106979981) is 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCCc2ccncc2)CCNC1.
What is the InChIKey of 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is BOQBMFGOQJBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)15(6-10-17-11-15)14(19)18-9-5-13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).