N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

C15H23N3O — CID 172890921

IUPACN-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NC(C)(C)C)C2)nc1
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16-9-11)18-8-7-12(10-18)14(19)17-15(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyZZDWVIOPRVGTGT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds2

About N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 172890921) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID172890921
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NC(C)(C)C)C2)nc1
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16-9-11)18-8-7-12(10-18)14(19)17-15(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyZZDWVIOPRVGTGT-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385
2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593015
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 172890921) is N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)NC(C)(C)C)C2)nc1.
What is the InChIKey of N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is ZZDWVIOPRVGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-6-13(16-9-11)18-8-7-12(10-18)14(19)17-15(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 172890921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).