N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine

C24H30N4O — CID 158445506

IUPACN-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
SMILESCN(Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2)C1CCCC1
InChIInChI=1S/C24H30N4O/c1-27(21-4-2-3-5-21)17-18-6-7-20-16-26-24(22(20)14-18)19-8-9-25-23(15-19)28-10-12-29-13-11-28/h6-9,14-15,21H,2-5,10-13,16-17H2,1H3
InChIKeyRNAYQVYFKPEVDB-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.64
Rot. Bonds5

About N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine

N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine (PubChem CID 158445506) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
PubChem CID158445506
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
SMILESCN(Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2)C1CCCC1
InChIInChI=1S/C24H30N4O/c1-27(21-4-2-3-5-21)17-18-6-7-20-16-26-24(22(20)14-18)19-8-9-25-23(15-19)28-10-12-29-13-11-28/h6-9,14-15,21H,2-5,10-13,16-17H2,1H3
InChIKeyRNAYQVYFKPEVDB-UHFFFAOYSA-N
XLogP3.64
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine with MolForge

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Related Compounds

[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 158201407
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
CID 158186722
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
bis(4-[4-[6-(3-methoxypyrazin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine);3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyrazin-2-one
CID 158237842
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine (CID 158445506) is N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine is CN(Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2)C1CCCC1.
What is the InChIKey of N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine?
The InChIKey is RNAYQVYFKPEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-27(21-4-2-3-5-21)17-18-6-7-20-16-26-24(22(20)14-18)19-8-9-25-23(15-19)28-10-12-29-13-11-28/h6-9,14-15,21H,2-5,10-13,16-17H2,1H3.
What are the key properties of N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine?
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine has a molecular weight of 390.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 158445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).