2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine

C14H20ClN3 — CID 104918926

IUPAC2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCCC2C2CCCC2)c1
InChIInChI=1S/C14H20ClN3/c15-13-8-11(16)9-14(17-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2,(H2,16,17)
InChIKeyKZAPPZHCWQIEDN-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine

2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine (PubChem CID 104918926) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
PubChem CID104918926
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCCC2C2CCCC2)c1
InChIInChI=1S/C14H20ClN3/c15-13-8-11(16)9-14(17-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2,(H2,16,17)
InChIKeyKZAPPZHCWQIEDN-UHFFFAOYSA-N
XLogP3.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 114070518
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 47299157
(4aR,8aS)-1-(6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129367185
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
CID 43628015
1-(2-chloro-6-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324380
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113378837
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80819254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine (CID 104918926) is 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine is Nc1cc(Cl)nc(N2CCCC2C2CCCC2)c1.
What is the InChIKey of 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine?
The InChIKey is KZAPPZHCWQIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-13-8-11(16)9-14(17-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2,(H2,16,17).
What are the key properties of 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine?
2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine is sourced from PubChem (CID 104918926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).