(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C15H20ClN3O — CID 62160898

IUPAC(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCCC2C2CCCC2)cc1Cl
InChIInChI=1S/C15H20ClN3O/c16-12-8-11(9-18-14(12)17)15(20)19-7-3-6-13(19)10-4-1-2-5-10/h8-10,13H,1-7H2,(H2,17,18)
InChIKeyQTYDJROZDKVNSB-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.11
Rot. Bonds2

About (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 62160898) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID62160898
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCCC2C2CCCC2)cc1Cl
InChIInChI=1S/C15H20ClN3O/c16-12-8-11(9-18-14(12)17)15(20)19-7-3-6-13(19)10-4-1-2-5-10/h8-10,13H,1-7H2,(H2,17,18)
InChIKeyQTYDJROZDKVNSB-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-4,5-dichlorophenyl)methanone
CID 102725149
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
CID 82752372
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-5-chlorophenyl)methanone
CID 102725169
(2-cyclohexylpyrrolidin-1-yl)-(3,5-diaminophenyl)methanone
CID 61108376
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 62160898) is (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is Nc1ncc(C(=O)N2CCCC2C2CCCC2)cc1Cl.
What is the InChIKey of (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is QTYDJROZDKVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-8-11(9-18-14(12)17)15(20)19-7-3-6-13(19)10-4-1-2-5-10/h8-10,13H,1-7H2,(H2,17,18).
What are the key properties of (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 293.80 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62160898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).