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

C15H23N3O — CID 106979600

IUPAC3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ccccn2)CCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(7-10-16-11-15)14(19)18-9-6-13-5-3-4-8-17-13/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyNQPJKYRSBNLSEN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.38
Rot. Bonds5

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

3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 106979600) 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-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID106979600
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ccccn2)CCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(7-10-16-11-15)14(19)18-9-6-13-5-3-4-8-17-13/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyNQPJKYRSBNLSEN-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

N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981293
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 106979600) is 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCCc2ccccn2)CCNC1.
What is the InChIKey of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NQPJKYRSBNLSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)15(7-10-16-11-15)14(19)18-9-6-13-5-3-4-8-17-13/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
3-propan-2-yl-N-(2-pyridin-2-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-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106979600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).