(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C15H21N3O — CID 81242396

IUPAC(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ccncc1C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H21N3O/c16-13-7-8-17-10-12(13)15(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2,(H2,16,17)
InChIKeyNTQWHCHMCGLPRE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds2

About (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 81242396) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID81242396
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ccncc1C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H21N3O/c16-13-7-8-17-10-12(13)15(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2,(H2,16,17)
InChIKeyNTQWHCHMCGLPRE-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-pyridinyl)methanone
CID 81245899
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-amino-3-pyridinyl)methanone
CID 124572102
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone
CID 82747550
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484434
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
CID 82752576
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 81242396) is (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is Nc1ccncc1C(=O)N1CCCC1C1CCCC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is NTQWHCHMCGLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-7-8-17-10-12(13)15(19)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2,(H2,16,17).
What are the key properties of (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81242396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).