(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone

C14H21N3O — CID 113418713

IUPAC(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O/c1-14(2,3)10-7-8-17(9-10)13(18)11-5-4-6-12(15)16-11/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyDJCWZMQTMMUTHH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds1

About (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone

(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone (PubChem CID 113418713) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
PubChem CID113418713
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O/c1-14(2,3)10-7-8-17(9-10)13(18)11-5-4-6-12(15)16-11/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyDJCWZMQTMMUTHH-UHFFFAOYSA-N
XLogP2.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone (CID 113418713) is (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone is CC(C)(C)C1CCN(C(=O)c2cccc(N)n2)C1.
What is the InChIKey of (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The InChIKey is DJCWZMQTMMUTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)10-7-8-17(9-10)13(18)11-5-4-6-12(15)16-11/h4-6,10H,7-9H2,1-3H3,(H2,15,16).
What are the key properties of (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone?
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113418713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).