1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone

C17H27N3O — CID 102540000

IUPAC1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccnc1N(C(C)C)C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20(13(3)4)17-15(8-6-10-18-17)16-9-7-11-19(16)14(5)21/h6,8,10,12-13,16H,7,9,11H2,1-5H3
InChIKeyHCEBPBWNTXXTPL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone

1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 102540000) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID102540000
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccnc1N(C(C)C)C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20(13(3)4)17-15(8-6-10-18-17)16-9-7-11-19(16)14(5)21/h6,8,10,12-13,16H,7,9,11H2,1-5H3
InChIKeyHCEBPBWNTXXTPL-UHFFFAOYSA-N
XLogP3.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151
N,N-di(propan-2-yl)-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
CID 102540014
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
CID 102540016
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
CID 102539627
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone (CID 102540000) is 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cccnc1N(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HCEBPBWNTXXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)20(13(3)4)17-15(8-6-10-18-17)16-9-7-11-19(16)14(5)21/h6,8,10,12-13,16H,7,9,11H2,1-5H3.
What are the key properties of 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102540000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).