N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide

C15H23N3O2 — CID 172899385

IUPACN-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1cccnc1N1CCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-14(19)11-7-9-18(10-11)13-12(20-4)6-5-8-16-13/h5-6,8,11H,7,9-10H2,1-4H3,(H,17,19)
InChIKeyYAYWAWYAZOZHJS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds3

About N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 172899385) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID172899385
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1cccnc1N1CCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-14(19)11-7-9-18(10-11)13-12(20-4)6-5-8-16-13/h5-6,8,11H,7,9-10H2,1-4H3,(H,17,19)
InChIKeyYAYWAWYAZOZHJS-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide (CID 172899385) is N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide is COc1cccnc1N1CCC(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is YAYWAWYAZOZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)17-14(19)11-7-9-18(10-11)13-12(20-4)6-5-8-16-13/h5-6,8,11H,7,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 172899385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).